William Jorgensen

2025 The need to implement FAIR principles in biomolecular simulations Nature Methods article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The need to implement FAIR principles in biomolecular simulations	The need to implement FAIR principles in biomolecular simulations
year openalex	2025	2025
venue openalex	Nature Methods	Nature methods
kind openalex	article	other
DOI openalex	10.1038/s41592-025-02635-0
first author openalex	Amaro	Amaro

Citations

OpenAlex: 65
Scholar: 91
DOI: 10.1038/s41592-025-02635-0
OpenAlex: W4409148148

Match decisions

fingerprint merged · 1.00 · Run 18

2021 A Reflection on Norman Louis Allinger. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2375–2376 · CV · published

2375454. A Reflection on Norman Louis Allinger.2376Schaefer, H. F., III; Jorgensen, W. L. J. Chem. Theory Comput. 2021, 17, 2013.

Institution fields

Peer reviewed: yes
First author: Schaefer
Co-authors: Schaefer, H. F., III; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A Reflection on Norman Louis Allinger.	A Reflection on Norman Louis Allinger
year cv	2021	2021
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/acs.jctc.1c00252	10.1021/acs.jctc.1c00252
first author openalex	Schaefer	Schaefer

Citations

OpenAlex: 1
Scholar: none
DOI: 10.1021/acs.jctc.1c00252
OpenAlex: W3135980978

Match decisions

doi merged · 1.00 · Run 18

2021 Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2355–2359 · CV · published

2355451. Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate2356Warhead.2357Ippolito, J. A.; Haichan Niu, H.; Bertoletti, N.; Carter, Z.; Jin, S.; Spasov, K. A.;2358Cisneros, J. A.; Valhondo, M.; Cutrona, K. J.; Anderson, K. S.; Jorgensen, W. L.2359ACS Med. Chem. Lett. 2021, 12, 249-255.

Institution fields

Peer reviewed: yes
First author: Ippolito
Co-authors: Ippolito, J. A.; Haichan Niu, H.; Bertoletti, N.; Carter, Z.; Jin, S.; Spasov, K. A.; Cisneros, J. A.; Valhondo, M.; Cutrona, K. J.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.	Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead
year cv	2021	2021
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.0c00612	10.1021/acsmedchemlett.0c00612
first author openalex	Ippolito	Ippolito

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/acsmedchemlett.0c00612
OpenAlex: W3118771637

Match decisions

doi merged · 1.00 · Run 18

2021 Indoloxytriazenes as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant. Tetrahedron Letters article journal CV OA GS

CV span

lines 2383–2387 · CV · published

2383456. Indoloxytriazenes as binding molecules for the JAK2 JH2 pseudokinase domain and its2384V617F variant.2385Newton, A. S.; Liosi, M.-E.; Henry, S. P.; Deiana, L.; Faver, J. C.; Krimmer, S. G.;2386Dawson, T. K.; Puleo, D. E.; Schlessinger, J.; Jorgensen, W. L.2387Tetrahedron Lett. 2021, 77, 153248. Issue honoring D. L. Boger.

Institution fields

Peer reviewed: yes
First author: Newton
Co-authors: Newton, A. S.; Liosi, M.-E.; Henry, S. P.; Deiana, L.; Faver, J. C.; Krimmer, S. G.; Dawson, T. K.; Puleo, D. E.; Schlessinger, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Indoloxytriazenes as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant.	Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant
year cv	2021	2021
venue crossref	Tetrahedron Lett.	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/j.tetlet.2021.153248	10.1016/j.tetlet.2021.153248
first author openalex	Newton	Newton

Citations

OpenAlex: 13
Scholar: none
DOI: 10.1016/j.tetlet.2021.153248
OpenAlex: W3177556424

Match decisions

doi merged · 1.00 · Run 18

2021 Long-acting and extended-release implant and nanoformulations with a synergistic antiretroviral two-drug combination controls HIV-1 infection in a humanized mouse model. Bioengineering & Translational Medicine article journal CV OA GS

CV span

lines 2368–2373 · CV · published

2368453. Long-acting and extended-release implant and nanoformulations with a synergistic2369antiretroviral two-drug combination controls HIV-1 infection in a humanized mouse2370model.2371Beloor, J.; Kudalkar, S. N.; Buzzelli, G.; Yang, F.; Mandl, H. K.; Rajashekar, J. K.;2372Spasov, K. A.; Jorgensen, W. L.; Saltzman, W. M.; Anderson, K. S.; Kumar, P.2373Bioengin. Trans. Med. 2021, 00, 0000. http://doi.org/10.1002/btm2.10237

Institution fields

Peer reviewed: yes
First author: Beloor
Co-authors: Beloor, J.; Kudalkar, S. N.; Buzzelli, G.; Yang, F.; Mandl, H. K.; Rajashekar, J. K.; Spasov, K. A.; Jorgensen, W. L.; Saltzman, W. M.; Anderson, K. S.; Kumar, P.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Long-acting and extended-release implant and nanoformulations with a synergistic antiretroviral two-drug combination controls HIV-1 infection in a humanized mouse model.	Long‐acting and extended‐release implant and nanoformulations with a synergistic antiretroviral two‐drug combination controls HIV ‐1 infection in a humanized mouse model
year cv	2021	2021
venue crossref	Bioengin. Trans. Med.	Bioengineering & Translational Medicine	Bioengineering & Translational Medicine
kind cv	article	article
DOI cv	10.1002/btm2.10237	10.1002/btm2.10237
first author openalex	Beloor	Beloor

Citations

OpenAlex: 13
Scholar: none
DOI: 10.1002/btm2.10237
OpenAlex: W3166301720

Match decisions

doi merged · 1.00 · Run 18

2021 Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2389–2394 · CV · published

2389457. Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to2390Low-Nanomolar Antiviral Potency.2391Zhang, C.-H.; Spasov, K. A.; Reilly, R. A.; Hollander, K.; Stone, E. A.; Ippolito,2392J. A.; Liosi, M.-E.; Deshmukh, M. G.; Tirado-Rives, J.; Zhang, S.; Liang, Z.; Miller,2393S. J.; Isaacs, F.; Lindenbach, B.; Anderson, K. S.; Jorgensen, W. L.2394ACS Med Chem. Lett. 2021, 12, 000-000. on-line.

Institution fields

Peer reviewed: yes
First author: Zhang
Co-authors: Zhang, C.-H.; Spasov, K. A.; Reilly, R. A.; Hollander, K.; Stone, E. A.; Ippolito, J. A.; Liosi, M.-E.; Deshmukh, M. G.; Tirado-Rives, J.; Zhang, S.; Liang, Z.; Miller, S. J.; Isaacs, F.; Lindenbach, B.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.	Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency
year cv	2021	2021
venue crossref	ACS Med Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.1c00326	10.1021/acsmedchemlett.1c00326
first author openalex	Zhang	Zhang

Citations

OpenAlex: 58
Scholar: none
DOI: 10.1021/acsmedchemlett.1c00326
OpenAlex: W3179779234

Match decisions

doi merged · 1.00 · Run 18

2021 Potent non-covalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug parampanel guided by free-energy perturbation calculations. ACS Central Science article journal CV OA GS

CV span

lines 2361–2366 · CV · published

2361452. Potent non-covalent inhibitors of the main protease of SARS-CoV-2 from molecular2362sculpting of the drug parampanel guided by free-energy perturbation calculations.2363Zhang, C.-H.; Stone, E. A.; Deshmukh, M.; Ippolito, J. A.; Ghahremanpour, M. M.;2364Tirado-Rives, J.; Spasov, K. A.; Zhang, S.; Takeo, Y.; Kudalkar, S. N.; Liang, Z.;2365Isaacs, F.; Lindenbach, B.; Miller, S. J.; Anderson, K. S.; Jorgensen, W. L.2366ACS Central Sci. 2021, 7, 467-475.

Institution fields

Peer reviewed: yes
First author: Zhang
Co-authors: Zhang, C.-H.; Stone, E. A.; Deshmukh, M.; Ippolito, J. A.; Ghahremanpour, M. M.; Tirado-Rives, J.; Spasov, K. A.; Zhang, S.; Takeo, Y.; Kudalkar, S. N.; Liang, Z.; Isaacs, F.; Lindenbach, B.; Miller, S. J.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Potent non-covalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug parampanel guided by free-energy perturbation calculations.	Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV‑2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations	Potent noncovalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug perampanel guided by free energy perturbation calculations
year cv	2021	2021	2021
venue crossref	ACS Central Sci.	ACS Central Science	ACS central science	ACS Central Science
kind cv	article	article	other
DOI crossref	10.1021/acscentsci.1c00039	10.1021/acscentsci.1c00039
first author openalex	Zhang	Zhang	Zhang

Citations

OpenAlex: 264
Scholar: 300
DOI: 10.1021/acscentsci.1c00039
OpenAlex: W3130155181

Match decisions

doi merged · 1.00 · Run 18

2021 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors US Patent App. 16/979,306 other CV OA GS

CV span

lines 2461–2462 · CV · published

2461Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors2462WL Jorgensen, V Trivedi-Parmar - US Patent App. 16/979,306 (2021)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; V Trivedi-Parmar
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors
year cv	2021
venue cv	US Patent App. 16/979,306
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2021 Structural insights into a novel perampanel-derived pharmacophore targeting the SARS- CoV-2 main protease. Structure article journal CV OA GS

CV span

lines 2378–2381 · CV · published

2378455. Structural insights into a novel perampanel-derived pharmacophore targeting the SARS-2379CoV-2 main protease.2380Deshmukh, M. G.; Ippolito, J. A.; Zhang, C.H.; Stone, E. A.; Reilly, R.; Miller, S. J.;2381Jorgensen, W. L.; Anderson, K. S. Structure 2021, 00, 0000-0000.

Institution fields

Peer reviewed: yes
First author: Deshmukh
Co-authors: Deshmukh, M. G.; Ippolito, J. A.; Zhang, C.H.; Stone, E. A.; Reilly, R.; Miller, S. J.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Structural insights into a novel perampanel-derived pharmacophore targeting the SARS- CoV-2 main protease.	Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease
year cv	2021	2021
venue cv	Structure	Structure
kind cv	article	article
DOI		10.1016/j.str.2021.06.002
first author cv	Deshmukh	Deshmukh

Also recorded as

W3174931853 (DOI 10.1016/j.str.2021.06.002) · title variant · 2021 Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease

Citations

OpenAlex: 63
Scholar: none

Match decisions

classified merged · Run 18 resolved by the OpenAlex classification: title_variant

2020 Explicit Representation of Cation-π Interactions in Force Fields with 1/r4 Non-bonded Terms. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2345–2348 · CV · published

2345449. Explicit Representation of Cation-π Interactions in Force Fields with 1/r4 Non-bonded2346Terms.2347Turupcu, A.; Tirado-Rives, J.; Jorgensen, W. L. J. Chem. Theory Comput. 2020, 16,23487184-7194.

Institution fields

Peer reviewed: yes
First author: Turupcu
Co-authors: Turupcu, A.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Explicit Representation of Cation-π Interactions in Force Fields with 1/r4 Non-bonded Terms.	Explicit Representation of Cation−π Interactions in Force Fields with 1/ r 4 Nonbonded Terms
year cv	2020	2020
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/acs.jctc.0c00847	10.1021/acs.jctc.0c00847
first author openalex	Turupcu	Turupcu

Citations

OpenAlex: 38
Scholar: none
DOI: 10.1021/acs.jctc.0c00847
OpenAlex: W3092410825

Match decisions

doi merged · 1.00 · Run 18

2020 Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2350–2353 · CV · published

2350450. Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2.2351Ghahremanpour, M.; Tirado-Rives, J.; Deshmukh, M.; Ippolito, J. A.; Zhang, C.-H.;2352Cabeza de Vaca, I.; Liosi, M.-E.; Anderson, K. S.; Jorgensen, W. L. ACS Med.2353Chem. Lett. 2020, 11, 2626-2533.

Institution fields

Peer reviewed: yes
First author: Ghahremanpour
Co-authors: Ghahremanpour, M.; Tirado-Rives, J.; Deshmukh, M.; Ippolito, J. A.; Zhang, C.-H.; Cabeza de Vaca, I.; Liosi, M.-E.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2.	Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2	Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV‑2
year cv	2020	20202020	2020
venue crossref	ACS Med. Chem. Lett.	bioRxiv (Cold Spring Harbor Laboratory)ACS Medicinal Chemistry Letters	ACS medicinal chemistry letters	ACS Medicinal Chemistry Letters
kind cv	article	working_paperarticle	other
DOI crossref	10.1021/acsmedchemlett.0c00521	10.1101/2020.08.28.27195710.1021/acsmedchemlett.0c00521
preprint DOI openalex		10.1101/2020.08.28.271957
first author openalex	Ghahremanpour	GhahremanpourGhahremanpour	Ghahremanpour

Citations

OpenAlex: 223
Scholar: 244
OpenAlex with related records: 252
DOI: 10.1021/acsmedchemlett.0c00521
OpenAlex: W3094560806

Match decisions

doi merged · 1.00 · Run 18

2020 Metadynamics as a Post-Processing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 2329–2332 · CV · published

2329446. Metadynamics as a Post-Processing Method for Virtual Screening with Application to2330the Pseudokinase Domain of JAK2.2331Cutrona, K. J.; Newton, A. S.; Krimmer, S. G.; Tirado-Rives, J.; Jorgensen, W. L.2332J. Chem. Info. Model. 2020, 60, 4403-4415.

Institution fields

Peer reviewed: yes
First author: Cutrona
Co-authors: Cutrona, K. J.; Newton, A. S.; Krimmer, S. G.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Metadynamics as a Post-Processing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2.	Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2
year cv	2020	2020
venue crossref	J. Chem. Info. Model.	Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling
kind cv	article	article
DOI crossref	10.1021/acs.jcim.0c00276	10.1021/acs.jcim.0c00276
first author openalex	Cutrona	Cutrona

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/acs.jcim.0c00276
OpenAlex: W3022846064

Match decisions

doi merged · 1.00 · Run 18

2020 Selective JAK2 Pseudokinase Ligands with a Diaminotriazole Core. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 2319–2322 · CV · published

2319444. Selective JAK2 Pseudokinase Ligands with a Diaminotriazole Core.2320Liosi, M.-E.; Krimmer, S. G.; Newton, A. S.; Dawson, T. K.; Puleo, D. E.; Cutrona,2321K. J.; Schlessinger, J.; Jorgensen, W. L.2322J. Med. Chem. 2020, 63, 5324-5340.

Institution fields

Peer reviewed: yes
First author: Liosi
Co-authors: Liosi, M.-E.; Krimmer, S. G.; Newton, A. S.; Dawson, T. K.; Puleo, D. E.; Cutrona, K. J.; Schlessinger, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Selective JAK2 Pseudokinase Ligands with a Diaminotriazole Core.	Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core
year cv	2020	2020
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/acs.jmedchem.0c00192	10.1021/acs.jmedchem.0c00192
first author openalex	Liosi	Liosi

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1021/acs.jmedchem.0c00192
OpenAlex: W3019715259

Match decisions

doi merged · 1.00 · Run 18

2020 Structural Investigation of 2-Naphthyl Phenyl Ether Inhibitors Bound to WT and Y181C Reverse Transcriptase Highlights Key Features of the NNRTI Binding Site. Protein Science article journal CV OA GS

CV span

lines 2339–2343 · CV · published

2339448. Structural Investigation of 2-Naphthyl Phenyl Ether Inhibitors Bound to WT and Y181C2340Reverse Transcriptase Highlights Key Features of the NNRTI Binding Site.2341Duong, V. N.; Ippolito, J. A.; Chan, A. H.; Lee, W.-G.; Spasov, K. S.; Jorgensen,2342W. L.; Anderson, K. S.2343Protein Sci. 2020, 29, 1902-1910.

Institution fields

Peer reviewed: yes
First author: Duong
Co-authors: Duong, V. N.; Ippolito, J. A.; Chan, A. H.; Lee, W.-G.; Spasov, K. S.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural Investigation of 2-Naphthyl Phenyl Ether Inhibitors Bound to WT and Y181C Reverse Transcriptase Highlights Key Features of the NNRTI Binding Site.	Structural investigation of 2‐naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site
year cv	2020	2020
venue crossref	Protein Sci.	Protein Science	Protein Science
kind cv	article	article
DOI crossref	10.1002/pro.3910	10.1002/pro.3910
first author openalex	Duong	Duong

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1002/pro.3910
OpenAlex: W3042135479

Match decisions

doi merged · 1.00 · Run 18

2020 Structure-Guided Identification of DNMT3B Inhibitors. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2324–2327 · CV · published

2324445. Structure-Guided Identification of DNMT3B Inhibitors.2325Newton, A. S.; John C. Faver, J. C.; Micevic, G.; Muthusamy, V.; Kudalkar, S. N.;2326Bertoletti, N.; Anderson, K. S.; Bosenberg, M. W.; Jorgensen, W. L.2327ACS Med. Chem. Lett. 2020, 11, 971-976. M. Botta Memorial Issue.

Institution fields

Peer reviewed: yes
First author: Newton
Co-authors: Newton, A. S.; John C. Faver, J. C.; Micevic, G.; Muthusamy, V.; Kudalkar, S. N.; Bertoletti, N.; Anderson, K. S.; Bosenberg, M. W.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure-Guided Identification of DNMT3B Inhibitors.	Structure-Guided Identification of DNMT3B Inhibitors
year cv	2020	2020
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.0c00011	10.1021/acsmedchemlett.0c00011
first author openalex	Newton	Newton

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1021/acsmedchemlett.0c00011
OpenAlex: W3005022688

Match decisions

doi merged · 1.00 · Run 18

2020 Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitors. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2334–2337 · CV · published

2334447. Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR2335from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitors.2336Ruiz, V. G.; Czyzyk, D. J.; Kumar, V. P.; Jorgensen, W. L.; Anderson, K. S.2337Bioorg. Med. Chem. Lett. 2020, 30, 127292.

Institution fields

Peer reviewed: yes
First author: Ruiz
Co-authors: Ruiz, V. G.; Czyzyk, D. J.; Kumar, V. P.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitors.	Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitors
year cv	2020	2020
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2020.127292	10.1016/j.bmcl.2020.127292
first author openalex	Ruiz	Ruiz

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1016/j.bmcl.2020.127292
OpenAlex: W3030436187

Match decisions

doi merged · 1.00 · Run 18

2019 Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Drug-like Inhibitor. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2314–2317 · CV · published

2314443. Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory2315Factor in Complex with a Drug-like Inhibitor.2316Qian, Y.; Cabeza de Vaca, I.; Vilseck, J. Z.; Cole, D. J.; Tirado-Rives, J.; Jorgensen,2317W. L. J. Phys. Chem. B 2019, 123, 8675-8685.

Institution fields

Peer reviewed: yes
First author: Qian
Co-authors: Qian, Y.; Cabeza de Vaca, I.; Vilseck, J. Z.; Cole, D. J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Drug-like Inhibitor.	Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike InhibitorAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
year cv	2019	20192019
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry BAuthor eBooks	The Journal of Physical Chemistry B
kind cv	article	articlechapter
DOI crossref	10.1021/acs.jpcb.9b07588	10.1021/acs.jpcb.9b07588
first author openalex	Qian	QianQian

Also recorded as

W3006962910 · same title · 2019 Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor

Citations

OpenAlex: 31
Scholar: none
DOI: 10.1021/acs.jpcb.9b07588
OpenAlex: W2976508218

Match decisions

doi merged · 1.00 · Run 18

2019 Computation of Protein-Ligand Binding Free Energies Using Quantum Mechanical Bespoke Force Fields. MedChemComm article journal CV OA GS

CV span

lines 2268–2271 · CV · published

2268434. Computation of Protein-Ligand Binding Free Energies Using Quantum Mechanical2269Bespoke Force Fields.2270Cole, D. J.; Cabeza de Vaca, I.; Jorgensen, W. L.2271Med. Chem. Comm. 2019, 10, 1116-1120.

Institution fields

Peer reviewed: yes
First author: Cole
Co-authors: Cole, D. J.; Cabeza de Vaca, I.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computation of Protein-Ligand Binding Free Energies Using Quantum Mechanical Bespoke Force Fields.	Computation of protein–ligand binding free energies using quantum mechanical bespoke force fields
year cv	2019	2019
venue crossref	Med. Chem. Comm.	MedChemComm	MedChemComm
kind cv	article	article
DOI crossref	10.1039/c9md00017h	10.1039/c9md00017h
first author openalex	Cole	Cole

Citations

OpenAlex: 31
Scholar: none
DOI: 10.1039/c9md00017h
OpenAlex: W2917738346

Match decisions

doi merged · 1.00 · Run 18

2019 Development and Testing of the OPLS-AA/M Force Field for RNA. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2273–2275 · CV · published

2273435. Development and Testing of the OPLS-AA/M Force Field for RNA.2274Robertson, M. J.; Qian, Y.; Robinson, M. C.; Tirado-Rives, J.; Jorgensen, W. L.2275J. Chem. Theory Comput. 2019, 15, 2734-2742. PMID: 30807148

Institution fields

Peer reviewed: yes
First author: Robertson
Co-authors: Robertson, M. J.; Qian, Y.; Robinson, M. C.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Development and Testing of the OPLS-AA/M Force Field for RNA.	Development and Testing of the OPLS-AA/M Force Field for RNA	Development and Testing of the OPLS-AA/M Force Field for RNA
year cv	2019	2019	2019
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/acs.jctc.9b00054	10.1021/acs.jctc.9b00054
first author openalex	Robertson	Robertson	Robertson

Citations

OpenAlex: 107
Scholar: 124
DOI: 10.1021/acs.jctc.9b00054
OpenAlex: W2917147478

Match decisions

doi merged · 1.00 · Run 18

2019 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same US Patent Publ. No. 20190144424 other CV OA GS

CV span

lines 2445–2447 · CV · published

2445Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using2446Same.2447WL Jorgensen - US Patent Publ. No. 20190144424 (2019)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same
year cv	2019
venue cv	US Patent Publ. No. 20190144424
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 Molecular and Cellular Studies Evaluating a Potent 2-Cyanoindolizine Catechol Diether NNRTI Targeting Wildtype and Y181C Mutant HIV-1 Reverse Transcriptase Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2303–2307 · CV · published

2303441. Molecular and Cellular Studies Evaluating a Potent 2-Cyanoindolizine Catechol2304Diether NNRTI Targeting Wildtype and Y181C Mutant HIV-1 Reverse Transcriptase2305Sasaki, T.; Gannam, Z. T. K.; Kudalkar, S. N.; Frey, K. M.; Lee, W.-G.; Spasov, K.2306A.; Jorgensen, W. L.; Anderson, K. S. Bioorg. Med. Chem. Lett. 2019, 29, 2182-23072188.

Institution fields

Peer reviewed: yes
First author: Sasaki
Co-authors: Sasaki, T.; Gannam, Z. T. K.; Kudalkar, S. N.; Frey, K. M.; Lee, W.-G.; Spasov, K. A.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Molecular and Cellular Studies Evaluating a Potent 2-Cyanoindolizine Catechol Diether NNRTI Targeting Wildtype and Y181C Mutant HIV-1 Reverse Transcriptase	Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase
year cv	2019	2019
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2019.06.047	10.1016/j.bmcl.2019.06.047
first author openalex	Sasaki	Sasaki

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1016/j.bmcl.2019.06.047
OpenAlex: W2954839824

Match decisions

doi merged · 1.00 · Run 18

2019 New 7,8-Dihydro-1,7-naphthyridin-8-one compounds used for treating an inflammatory disease, autoimmune disease and cancer, and disease associated with high macrophage migration inhibitory factor expression US2019144424-A1 other CV OA GS

CV span

lines 2457–2459 · CV · published

2457New 7,8-Dihydro-1,7-naphthyridin-8-one compounds used for treating an inflammatory2458disease, autoimmune disease and cancer, and disease associated with high macrophage2459migration inhibitory factor expression. Jorgensen, W. L. - US2019144424-A1 (2019)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	New 7,8-Dihydro-1,7-naphthyridin-8-one compounds used for treating an inflammatory disease, autoimmune disease and cancer, and disease associated with high macrophage migration inhibitory factor expression
year cv	2019
venue cv	US2019144424-A1
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 New substituted 4-phenyl-1H-pyrazole compounds are macrophage migration inhibitory factor inhibitors, useful for treating an inflammatory disease, a neurological disorder, and/or cancer WO2019178480-A1 other CV OA GS

CV span

lines 2453–2455 · CV · published

2453New substituted 4-phenyl-1H-pyrazole compounds are macrophage migration inhibitory2454factor inhibitors, useful for treating an inflammatory disease, a neurological disorder,2455and/or cancer. Jorgensen, W. L.; Trivedi-Parmar, V. - WO2019178480-A1 (2019)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Trivedi-Parmar, V.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	New substituted 4-phenyl-1H-pyrazole compounds are macrophage migration inhibitory factor inhibitors, useful for treating an inflammatory disease, a neurological disorder, and/or cancer
year cv	2019
venue cv	WO2019178480-A1
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 Novel Allosteric Covalent Inhibitors of Bifunctional Cryptosporidium hominis TS- DHFR from Parasitic Protozoa Identified by Virtual Screening. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2263–2266 · CV · published

2263433. Novel Allosteric Covalent Inhibitors of Bifunctional Cryptosporidium hominis TS-2264DHFR from Parasitic Protozoa Identified by Virtual Screening.2265Ruiz, V.; Czyzyk, D. J.; Valhondo, M.; Jorgensen, W. L.; Anderson, K. S.2266Bioorg. Med. Chem. Lett. 2019, 29, 1413-1418. PMID: 30929953

Institution fields

Peer reviewed: yes
First author: Ruiz
Co-authors: Ruiz, V.; Czyzyk, D. J.; Valhondo, M.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Novel Allosteric Covalent Inhibitors of Bifunctional Cryptosporidium hominis TS- DHFR from Parasitic Protozoa Identified by Virtual Screening.	Novel allosteric covalent inhibitors of bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa identified by virtual screening
year cv	2019	2019
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2019.03.022	10.1016/j.bmcl.2019.03.022
first author openalex	Ruiz	Ruiz

Citations

OpenAlex: 9
Scholar: none
DOI: 10.1016/j.bmcl.2019.03.022
OpenAlex: W2922829862

Match decisions

doi merged · 1.00 · Run 18

2019 QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 2298–2301 · CV · published

2298440. QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges2299and Density Functional Theory.2300Tirado-Rives, J.; Jorgensen, W. L. J. Phys. Chem. B 2019, 123, 5713-5717.2301Leo Radom Festschrift

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory.	QM/MM Calculations for the Cl– + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory
year cv	2019	2019
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article
DOI crossref	10.1021/acs.jpca.9b04121	10.1021/acs.jpca.9b04121
first author openalex	Tirado-Rives	Tirado‐Rives

Citations

OpenAlex: 18
Scholar: none
DOI: 10.1021/acs.jpca.9b04121
OpenAlex: W2951080629

Match decisions

doi merged · 1.00 · Run 18

2019 Robust FEP Protocols for Creating Molecules in Solution. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2277–2279 · CV · published

2277436. Robust FEP Protocols for Creating Molecules in Solution.2278Cabeza de Vaca, I.; Zarzuela, R.; Tirado-Rives, J.; Jorgensen, W. L.2279J. Chem. Theory Comput. 2019, 15, 3941-3948.

Institution fields

Peer reviewed: yes
First author: Cabeza de Vaca
Co-authors: Cabeza de Vaca, I.; Zarzuela, R.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Robust FEP Protocols for Creating Molecules in Solution.	Robust Free Energy Perturbation Protocols for Creating Molecules in Solution
year cv	2019	2019
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/acs.jctc.9b00213	10.1021/acs.jctc.9b00213
first author openalex	de Vaca	de Vaca

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/acs.jctc.9b00213
OpenAlex: W2949250388

Match decisions

doi merged · 1.00 · Run 18

2019 Structural and Pharmacological Evaluation of a Novel Non-nucleoside Reverse Transcriptase Inhibitor as a Promising Long Acting Nanoformulation for Treating HIV. Antiviral Research article journal CV OA GS

CV span

lines 2281–2285 · CV · published

2281437. Structural and Pharmacological Evaluation of a Novel Non-nucleoside Reverse2282Transcriptase Inhibitor as a Promising Long Acting Nanoformulation for Treating HIV.2283Kudalkar, S. N.; Ullah, I.; Bertoletti, N.; Mandl, H.; Cisneros, J. A.; Beloor, J.; Chan,2284A. H.; Saltzman, W. M.; Jorgensen, W. L.; Kumar, P.; Anderson, K. S.2285Antiviral Res. 2019, 167, 110-116. PMID: 31034849

Institution fields

Peer reviewed: yes
First author: Kudalkar
Co-authors: Kudalkar, S. N.; Ullah, I.; Bertoletti, N.; Mandl, H.; Cisneros, J. A.; Beloor, J.; Chan, A. H.; Saltzman, W. M.; Jorgensen, W. L.; Kumar, P.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural and Pharmacological Evaluation of a Novel Non-nucleoside Reverse Transcriptase Inhibitor as a Promising Long Acting Nanoformulation for Treating HIV.	Structural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV
year cv	2019	2019
venue crossref	Antiviral Res.	Antiviral Research	Antiviral Research
kind cv	article	article
DOI crossref	10.1016/j.antiviral.2019.04.010	10.1016/j.antiviral.2019.04.010
first author openalex	Kudalkar	Kudalkar

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1016/j.antiviral.2019.04.010
OpenAlex: W2942329252

Match decisions

doi merged · 1.00 · Run 18

2019 Structure Activity Relationship Towards the Design of Cryptosporidium Specific Thymidylate Synthase Inhibitors. European Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 2309–2312 · CV · published

2309442. Structure Activity Relationship Towards the Design of Cryptosporidium Specific2310Thymidylate Synthase Inhibitors.2311Czyzyk, D.; Valhondo, M.; Tirado-Rives, J.; Jorgensen, W. L.; Anderson, K. S.2312Eur. J. Med. Chem. 2019, 183, 111673.

Institution fields

Peer reviewed: yes
First author: Czyzyk
Co-authors: Czyzyk, D.; Valhondo, M.; Tirado-Rives, J.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure Activity Relationship Towards the Design of Cryptosporidium Specific Thymidylate Synthase Inhibitors.	Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors
year cv	2019	2019
venue crossref	Eur. J. Med. Chem.	European Journal of Medicinal Chemistry	European Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1016/j.ejmech.2019.111673	10.1016/j.ejmech.2019.111673
first author openalex	Czyzyk	Czyzyk

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1016/j.ejmech.2019.111673
OpenAlex: W2971489656

Match decisions

doi merged · 1.00 · Run 18

2019 Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2259–2261 · CV · published

2259432. Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.2260Dodda, L. S.; Tirado-Rives, J.; Jorgensen, W. L.2261J. Phys. Chem. B. 2019, 123, 1741-1748. PMID: 30571126

Institution fields

Peer reviewed: yes
First author: Dodda
Co-authors: Dodda, L. S.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.	Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase
year cv	2019	2018
venue crossref	J. Phys. Chem. B.	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/acs.jpcb.8b10341	10.1021/acs.jpcb.8b10341
first author openalex	Dodda	Dodda

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/acs.jpcb.8b10341
OpenAlex: W2906283706

Match decisions

doi merged · 1.00 · Run 18

2019 Understanding the Structural Basis of Species Selective, Stereospecific Inhibition for Cryptosporidium and Human Thymidylate Synthase. FEBS Letters article journal CV OA GS

CV span

lines 2293–2296 · CV · published

2293439. Understanding the Structural Basis of Species Selective, Stereospecific Inhibition for2294Cryptosporidium and Human Thymidylate Synthase.2295Czyzyk, D.J.; Valhondo, M.; Jorgensen, W. L.; Anderson, K.S.2296FEBS Lett. 2019, 593, 2069-2078.

Institution fields

Peer reviewed: yes
First author: Czyzyk
Co-authors: Czyzyk, D.J.; Valhondo, M.; Jorgensen, W. L.; Anderson, K.S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Understanding the Structural Basis of Species Selective, Stereospecific Inhibition for Cryptosporidium and Human Thymidylate Synthase.	Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase
year cv	2019	2019
venue crossref	FEBS Lett.	FEBS Letters	FEBS Letters
kind cv	article	article
DOI crossref	10.1002/1873-3468.13474	10.1002/1873-3468.13474
first author openalex	Czyzyk	Czyzyk

Citations

OpenAlex: 5
Scholar: none
DOI: 10.1002/1873-3468.13474
OpenAlex: W2948926494

Match decisions

doi merged · 1.00 · Run 18

2018 Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 2248–2251 · CV · published

2248430. Advances and Insights for Small Molecule Inhibition of Macrophage Migration2249Inhibitory Factor.2250Trivedi-Parmar, V.; Jorgensen, W. L. J. Med. Chem. 2018, 61, 8104-8119.2251PMID: 29812929

Institution fields

Peer reviewed: yes
First author: Trivedi-Parmar
Co-authors: Trivedi-Parmar, V.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor.	Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor
year cv	2018	2018
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/acs.jmedchem.8b00589	10.1021/acs.jmedchem.8b00589
first author openalex	Trivedi-Parmar	Trivedi‐Parmar

Citations

OpenAlex: 51
Scholar: none
DOI: 10.1021/acs.jmedchem.8b00589
OpenAlex: W2806216257

Match decisions

doi merged · 1.00 · Run 18

2018 Biaryltriazole inhibitors of macrophage migration inhibitory factor US Patent Publ. No. 20180179176 other CV OA GS

CV span

lines 2439–2440 · CV · published

2439Biaryltriazole inhibitors of macrophage migration inhibitory factor.2440WL Jorgensen, P Dziedzic, J Cisneros - US Patent Publ. No. 20180179176 (2018)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; P Dziedzic; J Cisneros
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Biaryltriazole inhibitors of macrophage migration inhibitory factor
year cv	2018
venue cv	US Patent Publ. No. 20180179176
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1002/cmdc.201800158 and title on optimization of pyrazoles as phenol surrogates.

2018 Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2238–2241 · CV · published

2238428. Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of2239Absolute Free Energies of Binding.2240Cabeza de Vaca, I.; Qian, Y.; Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.2241J. Chem. Theory Comput. 2018, 14, 3279-3288. PMID: 29708338

Institution fields

Peer reviewed: yes
First author: Cabeza de Vaca
Co-authors: Cabeza de Vaca, I.; Qian, Y.; Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding.	Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
year cv	2018	2018
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/acs.jctc.8b00031	10.1021/acs.jctc.8b00031
first author openalex	de Vaca	de Vaca

Citations

OpenAlex: 49
Scholar: none
DOI: 10.1021/acs.jctc.8b00031
OpenAlex: W2800811565

Match decisions

doi merged · 1.00 · Run 18

2018 From In Silico Hit to Long-Acting Late-Stage Preclinical Candidate to Combat HIV Infection. Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 2231–2236 · CV · published

2231427. From In Silico Hit to Long-Acting Late-Stage Preclinical Candidate to Combat HIV2232Infection.2233Kudalkar, S. N.; Beloor, J.; Quijano, E.; Spasov, K. A.; Lee, W.-G.; Cisneros, J. A.;2234Saltzman, W. M.; Kumar, P.; Jorgensen, W. L.; Anderson, K. S.2235Proc. Nat. Acad. Sci. USA. 2018, 115, E802-E811. PMID: 292793682236Comment: Sluis-Cramer, N. Proc. Nat. Acad. Sci. USA. 2018, 115, 637-638.

Institution fields

Peer reviewed: yes
First author: Kudalkar
Co-authors: Kudalkar, S. N.; Beloor, J.; Quijano, E.; Spasov, K. A.; Lee, W.-G.; Cisneros, J. A.; Saltzman, W. M.; Kumar, P.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	From In Silico Hit to Long-Acting Late-Stage Preclinical Candidate to Combat HIV Infection.	From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection
year cv	2018	2017
venue crossref	Proc. Nat. Acad. Sci. USA.	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article
DOI crossref	10.1073/pnas.1717932115	10.1073/pnas.1717932115
first author openalex	Kudalkar	Kudalkar

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1073/pnas.1717932115
OpenAlex: W2779453134

Match decisions

doi merged · 1.00 · Run 18

2018 Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination. ACS Catalysis article journal CV OA GS

CV span

lines 2253–2257 · CV · published

2253431. Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst2254for Atroposelective Bromination.2255Yan, X. C.; Metrano, A. J.; Robertson, M. J.; Abascal, N. C.; Tirado-Rives, J.;2256Miller, S. J.; Jorgensen, W. L.2257ACS Catalysis 2018, 8, 9968-9979. PMID: 30687577

Institution fields

Peer reviewed: yes
First author: Yan
Co-authors: Yan, X. C.; Metrano, A. J.; Robertson, M. J.; Abascal, N. C.; Tirado-Rives, J.; Miller, S. J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination.	Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination
year cv	2018	2018
venue crossref	ACS Catalysis	ACS Catalysis
kind cv	article	article
DOI crossref	10.1021/acscatal.8b03563	10.1021/acscatal.8b03563
first author openalex	Yan	Yan

Citations

OpenAlex: 33
Scholar: none
DOI: 10.1021/acscatal.8b03563
OpenAlex: W2889848047

Match decisions

doi merged · 1.00 · Run 18

2018 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem article journal CV OA GS

CV span

lines 2243–2246 · CV · published

2243429. Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of2244Macrophage Migration Inhibitory Factor.2245Trivedi-Parmar, V.; Robertson, M. J.; Cisneros, J. A.; Krimmer, S. G.;2246Jorgensen, W. L. Chem. Med. Chem. 2018, 13, 1092-1097. PMID: 29575754

Institution fields

Peer reviewed: yes
First author: Trivedi-Parmar
Co-authors: Trivedi-Parmar, V.; Robertson, M. J.; Cisneros, J. A.; Krimmer, S. G.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.	Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor
year cv	2018	2018
venue crossref	Chem. Med. Chem.	ChemMedChem	ChemMedChem
kind cv	article	article
DOI crossref	10.1002/cmdc.201800158	10.1002/cmdc.201800158
first author openalex	Trivedi-Parmar	Trivedi‐Parmar

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1002/cmdc.201800158
OpenAlex: W2789296815

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1002/cmdc.201800158 and title on optimization of pyrazoles as phenol surrogates.

2017 Adding a Hydrogen Bond May Not Help: Naphthyridinone vs. Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2225–2229 · CV · published

2225426. Adding a Hydrogen Bond May Not Help: Naphthyridinone vs. Quinoline Inhibitors of2226Macrophage Migration Inhibitory Factor.2227Dawson, T. K.; Dziedzic, P.; Robertson, M. J.; Cisneros, J. A.; Krimmer, S. G.;2228Newton, A. S.; Tirado-Rives, J.; Jorgensen, W. L.2229ACS Med. Chem. Lett. 2017, 8, 1287-1291.

Institution fields

Peer reviewed: yes
First author: Dawson
Co-authors: Dawson, T. K.; Dziedzic, P.; Robertson, M. J.; Cisneros, J. A.; Krimmer, S. G.; Newton, A. S.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Adding a Hydrogen Bond May Not Help: Naphthyridinone vs. Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.	Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor
year cv	2017	2017
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.7b00384	10.1021/acsmedchemlett.7b00384
first author openalex	Dawson	Dawson

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1021/acsmedchemlett.7b00384
OpenAlex: W2770468168

Match decisions

doi merged · 1.00 · Run 18

2017 Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A Kinase – TPX2 Protein-Protein Interaction. Chemical Communications article journal CV OA GS

CV span

lines 2219–2223 · CV · published

2219425. Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A2220Kinase – TPX2 Protein-Protein Interaction.2221Cole, D. J.; Janecek, M.; Stokes, J. E.; Rossmann, M.; Faver, J. C.; McKenzie, G. J.;2222Venkitaraman, A. R.; Hyvönen, M.; Spring, D. R.; Huggins, D. J.; Jorgensen, W. L.2223Chem. Commun. 2017, 53, 9372-9375.

Institution fields

Peer reviewed: yes
First author: Cole
Co-authors: Cole, D. J.; Janecek, M.; Stokes, J. E.; Rossmann, M.; Faver, J. C.; McKenzie, G. J.; Venkitaraman, A. R.; Hyvönen, M.; Spring, D. R.; Huggins, D. J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A Kinase – TPX2 Protein-Protein Interaction.	Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase–TPX2 protein–protein interaction
year cv	2017	2017
venue crossref	Chem. Commun.	Chemical Communications	Chemical Communications
kind cv	article	article
DOI crossref	10.1039/c7cc05379g	10.1039/c7cc05379g
first author openalex	Cole	Cole

Citations

OpenAlex: 17
Scholar: none
DOI: 10.1039/c7cc05379g
OpenAlex: W2740982646

Match decisions

doi merged · 1.00 · Run 18

2017 Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: from design to protein crystallography. Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 2213–2217 · CV · published

2213424. Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: from2214design to protein crystallography.2215Chan, A. H.; Lee, W.-G.; Spasov, K. A.; Cisneros, J. A.; Kudalkar, S. N.; Petrova, Z.2216O.; Buckingham, A. B.; Anderson, K. S.; Jorgensen, W. L.2217Proc. Nat. Acad. Sci. USA. 2017, 114, 9725-9730.

Institution fields

Peer reviewed: yes
First author: Chan
Co-authors: Chan, A. H.; Lee, W.-G.; Spasov, K. A.; Cisneros, J. A.; Kudalkar, S. N.; Petrova, Z. O.; Buckingham, A. B.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: from design to protein crystallography.	Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography
year cv	2017	2017
venue crossref	Proc. Nat. Acad. Sci. USA.	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article
DOI crossref	10.1073/pnas.1711463114	10.1073/pnas.1711463114
first author openalex	Chan	Chan

Citations

OpenAlex: 51
Scholar: none
DOI: 10.1073/pnas.1711463114
OpenAlex: W2748072911

Match decisions

doi merged · 1.00 · Run 18

2017 Identification and Characterization of Small Molecules Binding to the JAK2 Pseudokinase Domain. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2196–2200 · CV · published

2196421. Identification and Characterization of Small Molecules Binding to the JAK22197Pseudokinase Domain.2198Puleo, D. E.; Kucera, K.; Hammarén, H.; Ungureanu, D.; Newton, A. S.;2199Silvennoinen, O.; Jorgensen, W. L.; Schlessinger, J.2200ACS Med. Chem. Lett. 2017, 8, 618-621.

Institution fields

Peer reviewed: yes
First author: Puleo
Co-authors: Puleo, D. E.; Kucera, K.; Hammarén, H.; Ungureanu, D.; Newton, A. S.; Silvennoinen, O.; Jorgensen, W. L.; Schlessinger, J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Identification and Characterization of Small Molecules Binding to the JAK2 Pseudokinase Domain.	Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders
year cv	2017	2017
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.7b00153	10.1021/acsmedchemlett.7b00153
first author openalex	Puleo	Puleo

Citations

OpenAlex: 49
Scholar: none
DOI: 10.1021/acsmedchemlett.7b00153
OpenAlex: W2615299032

Match decisions

doi merged · 1.00 · Run 18

2017 Improved Description of Sulfur Anisotropy in OPLS Force Fields. Model Development and Parameterization. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2208–2211 · CV · published

2208423. Improved Description of Sulfur Anisotropy in OPLS Force Fields. Model Development2209and Parameterization.2210Yan, X. C.; Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W. L.2211J. Phys. Chem. B 2017, 121, 6626-6636.

Institution fields

Peer reviewed: yes
First author: Yan
Co-authors: Yan, X. C.; Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Improved Description of Sulfur Anisotropy in OPLS Force Fields. Model Development and Parameterization.	Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and Parameterization
year cv	2017	2017
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/acs.jpcb.7b04233	10.1021/acs.jpcb.7b04233
first author openalex	Yan	Yan

Citations

OpenAlex: 49
Scholar: none
DOI: 10.1021/acs.jpcb.7b04233
OpenAlex: W2630248196

Match decisions

doi merged · 1.00 · Run 18

2017 Improved Treatment of Nucleosides and Nucleotides in the OPLS-AA Force Field. Chemical Physics Letters article journal CV OA GS

CV span

lines 2183–2185 · CV · published

2183418. Improved Treatment of Nucleosides and Nucleotides in the OPLS-AA Force Field.2184Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W.L.2185Chem. Phys. Lett. 2017, 683, 276-280. Zewail Memorial Issue.

Institution fields

Peer reviewed: yes
First author: Robertson
Co-authors: Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W.L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Improved Treatment of Nucleosides and Nucleotides in the OPLS-AA Force Field.	Improved treatment of nucleosides and nucleotides in the OPLS-AA force field
year cv	2017	2017
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	article
DOI crossref	10.1016/j.cplett.2017.02.049	10.1016/j.cplett.2017.02.049
first author openalex	Robertson	Robertson

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/j.cplett.2017.02.049
OpenAlex: W2589006159

Match decisions

doi merged · 1.00 · Run 18

2017 JAK2-JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2202–2206 · CV · published

2202422. JAK2-JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with2203Three Small Molecules.2204Newton, A. S.; Deiana, L.; Puleo, D.; Cisneros, J. A; Cutrona, K. J.; Schlessinger, J.;2205Jorgensen, W. L.2206ACS Med. Chem. Lett. 2017, 8, 614-617.

Institution fields

Peer reviewed: yes
First author: Newton
Co-authors: Newton, A. S.; Deiana, L.; Puleo, D.; Cisneros, J. A; Cutrona, K. J.; Schlessinger, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	JAK2-JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.	JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules
year cv	2017	2017
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.7b00154	10.1021/acsmedchemlett.7b00154
first author openalex	Newton	Newton

Citations

OpenAlex: 30
Scholar: none
DOI: 10.1021/acsmedchemlett.7b00154
OpenAlex: W2615057371

Match decisions

doi merged · 1.00 · Run 18

2017 LigParGen web server: An automatic OPLS-AA parameter generator for organic molecules. Nucleic Acids Research article journal CV OA GS

CV span

lines 2191–2194 · CV · published

2191420. LigParGen web server: An automatic OPLS-AA parameter generator for organic2192molecules.2193Dodda, L. S.; Cabeza de Vaca, I.; Tirado-Rives, J.; Jorgensen, W. L.2194Nucl. Acids Res. 2017, 45, W331-W336.

Institution fields

Peer reviewed: yes
First author: Dodda
Co-authors: Dodda, L. S.; Cabeza de Vaca, I.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	LigParGen web server: An automatic OPLS-AA parameter generator for organic molecules.	LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands	LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
year cv	2017	2017	2017
venue crossref	Nucl. Acids Res.	Nucleic Acids Research	Nucleic acids research	Nucleic Acids Research
kind cv	article	article	other
DOI crossref	10.1093/nar/gkx312	10.1093/nar/gkx312
first author openalex	Dodda	Dodda	Dodda

Citations

OpenAlex: 1786
Scholar: 2056
DOI: 10.1093/nar/gkx312
OpenAlex: W2606142660

Match decisions

doi merged · 1.00 · Run 18

2017 Localized Bond Charge Corrected CM1A Charges for Condensed-Phase Simulations. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2187–2189 · CV · published

2187419. Localized Bond Charge Corrected CM1A Charges for Condensed-Phase Simulations.2188Dodda, L. S.; Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.2189J. Phys. Chem. B 2017, 121, 3864-3870. Schulten Memorial Issue.

Institution fields

Peer reviewed: yes
First author: Dodda
Co-authors: Dodda, L. S.; Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Localized Bond Charge Corrected CM1A Charges for Condensed-Phase Simulations.	1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations	1.14* CM1A-LBCC: Localized Bond Charge Corrected CM1A Charges for Condensed-Phase Simulations
year cv	2017	2017	2017
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/acs.jpcb.7b00272	10.1021/acs.jpcb.7b00272
first author openalex	Dodda	Dodda	Dodda

Citations

OpenAlex: 863
Scholar: 1010
DOI: 10.1021/acs.jpcb.7b00272
OpenAlex: W2589236205

Match decisions

doi merged · 1.00 · Run 18

2017 MIF modulators US Patent 9,540,322 other CV OA GS

CV span

lines 2436–2437 · CV · published

2436MIF modulators.2437WL Jorgensen, RJ Bucala, US Patent 9,540,322 (2017)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; RJ Bucala
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	MIF modulators
year cv	2017
venue cv	US Patent 9,540,322
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 Structural and Preclinical Studies of Computationally-Designed Non-nucleoside Reverse Transcriptase Inhibitors for Treating HIV Infection. Molecular Pharmacology article journal CV OA GS

CV span

lines 2177–2181 · CV · published

2177417. Structural and Preclinical Studies of Computationally-Designed Non-nucleoside Reverse2178Transcriptase Inhibitors for Treating HIV Infection.2179Kudalkar, S. N.; Beloor, J.; Chan, A. H.; Lee, W.-G.; Jorgensen, W. L.; Kumar, P.;2180Anderson, K. S.2181Mol. Pharm. 2017, 91, 383-391.

Institution fields

Peer reviewed: yes
First author: Kudalkar
Co-authors: Kudalkar, S. N.; Beloor, J.; Chan, A. H.; Lee, W.-G.; Jorgensen, W. L.; Kumar, P.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural and Preclinical Studies of Computationally-Designed Non-nucleoside Reverse Transcriptase Inhibitors for Treating HIV Infection.	Structural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection
year cv	2017	2017
venue crossref	Mol. Pharm.	Molecular Pharmacology	Molecular Pharmacology
kind cv	article	article
DOI crossref	10.1124/mol.116.107755	10.1124/mol.116.107755
first author openalex	Kudalkar	Kudalkar

Citations

OpenAlex: 19
Scholar: none
DOI: 10.1124/mol.116.107755
OpenAlex: W2587433164

Match decisions

doi merged · 1.00 · Run 18

2017 Systematic Study of Effects of Structural Modifications on the Aqueous Solubilities of Drug-like Molecules. ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2172–2175 · CV · published

2172416. Systematic Study of Effects of Structural Modifications on the Aqueous Solubilities of2173Drug-like Molecules.2174Cisneros, J. A.; Robertson, M. J.; Mercado, B. Q.; Jorgensen, W. L.2175ACS Med. Chem. Lett. 2017, 8, 124-127.

Institution fields

Peer reviewed: yes
First author: Cisneros
Co-authors: Cisneros, J. A.; Robertson, M. J.; Mercado, B. Q.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Systematic Study of Effects of Structural Modifications on the Aqueous Solubilities of Drug-like Molecules.	Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules
year cv	2017	2016
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.6b00451	10.1021/acsmedchemlett.6b00451
first author openalex	Cisneros	Cisneros

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1021/acsmedchemlett.6b00451
OpenAlex: W2558867729

Match decisions

doi merged · 1.00 · Run 18

2016 A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Two Potent Complexes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 2149–2153 · CV · published

2149411. A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory2150Factor and Crystal Structures for Two Potent Complexes.2151Cisneros, J. A.; Robertson, M. J.; Valhondo, M.; Jorgensen, W. L.2152J. Am. Chem. Soc. 2016, 138, 8630-8638.2153

Institution fields

Peer reviewed: yes
First author: Cisneros
Co-authors: Cisneros, J. A.; Robertson, M. J.; Valhondo, M.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Two Potent Complexes	A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors
year cv	2016	2016
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/jacs.6b04910	10.1021/jacs.6b04910
first author openalex	Cisneros	Cisneros

Citations

OpenAlex: 46
Scholar: none
DOI: 10.1021/jacs.6b04910
OpenAlex: W2428337320

Match decisions

doi merged · 1.00 · Run 18

2016 Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2139–2143 · CV · published

2139409. Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density2140Partitioning.2141Cole, D. J.; Vilseck, J. Z.; Tirado-Rives, J.; Payne, M. C.; Jorgensen, W. L.2142J. Chem. Theory Comput. 2016, 12, 2312-2323. PMID: 270576432143

Institution fields

Peer reviewed: yes
First author: Cole
Co-authors: Cole, D. J.; Vilseck, J. Z.; Tirado-Rives, J.; Payne, M. C.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning	Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning	Biomolecular force field parameterization via atoms-in-molecule electron density partitioning
year cv	2016	2016	2016
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/acs.jctc.6b00027	10.1021/acs.jctc.6b00027
first author openalex	Cole	Cole	Cole

Citations

OpenAlex: 173
Scholar: 182
DOI: 10.1021/acs.jctc.6b00027
OpenAlex: W2325996472

Match decisions

doi merged · 1.00 · Run 18

2016 Catechol diethers as potent anti-HIV agents US Patent 9,487,476 other CV OA GS

CV span

lines 2421–2422 · CV · published

2421Catechol diethers as potent anti-HIV agents2422WL Jorgensen, KS Anderson - US Patent 9,487,476 (2016)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; KS Anderson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Catechol diethers as potent anti-HIV agents
year cv	2016
venue cv	US Patent 9,487,476
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Compounds and methods for treating HIV infections US Patent 9,382,245 other CV OA GS

CV span

lines 2418–2419 · CV · published

2418Compounds and methods for treating HIV infections2419WL Jorgensen, KS Anderson US Patent 9,382,245 (2016)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; KS Anderson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Compounds and methods for treating HIV infections
year cv	2016
venue cv	US Patent 9,382,245
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Computer-Aided Discovery of Anti-HIV Agents Bioorganic & Medicinal Chemistry article journal CV OA GS

CV span

lines 2163–2165 · CV · published

2163414. Computer-Aided Discovery of Anti-HIV Agents.2164Jorgensen, W. L. Bioorg. Med. Chem. 2016, 24, 4768-4788. Tetrahedron Prize2165paper.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Aided Discovery of Anti-HIV Agents	Computer-aided discovery of anti-HIV agents
year cv	2016	2016
venue crossref	Bioorg. Med. Chem.	Bioorganic & Medicinal Chemistry	Bioorganic & Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1016/j.bmc.2016.07.039	10.1016/j.bmc.2016.07.039
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 62
Scholar: none
DOI: 10.1016/j.bmc.2016.07.039
OpenAlex: W2495659538

Match decisions

doi merged · 1.00 · Run 18

2016 Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents ACS Medicinal Chemistry Letters article journal CV OA GS needs review

CV span

lines 2167–2168 · CV · unverified · published

2167415. Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-2168HIV Agents.

Institution fields

Peer reviewed: none
First author: none
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents	Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents
year openalex		2016
venue openalex		ACS Medicinal Chemistry Letters
kind openalex	article	article
DOI openalex		10.1021/acsmedchemlett.6b00390
first author openalex	Design	Lee

Citations

OpenAlex: 29
Scholar: none
DOI: 10.1021/acsmedchemlett.6b00390
OpenAlex: W2544235535

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2144–2147 · CV · published

2144410. Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-2145Grained Water.2146Yan, X. C.; Tirado-Rives, J.; Jorgensen, W. L.2147J. Phys. Chem. B 2016, 120, 8102-8114. (McCammon Festschrift)

Institution fields

Peer reviewed: yes
First author: Yan
Co-authors: Yan, X. C.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water	Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water
year cv	2016	2016
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/acs.jpcb.6b00399	10.1021/acs.jpcb.6b00399
first author openalex	Yan	Yan

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1021/acs.jpcb.6b00399
OpenAlex: W2278591561

Match decisions

doi merged · 1.00 · Run 18

2016 Irregularities in enzyme assays: the case of macrophage migration inhibitory factor Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2154–2156 · CV · published

2154412. Irregularities in enzyme assays: the case of macrophage migration inhibitory factor.2155Cisneros, J. A.; Robertson, M. J.; Valhondo, M.; Jorgensen, W. L.2156Bioorg. Med. Chem. Lett. 2016, 26, 2764-2767.

Institution fields

Peer reviewed: yes
First author: Cisneros
Co-authors: Cisneros, J. A.; Robertson, M. J.; Valhondo, M.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Irregularities in enzyme assays: the case of macrophage migration inhibitory factor	Irregularities in enzyme assays: The case of macrophage migration inhibitory factor
year cv	2016	2016
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2016.04.074	10.1016/j.bmcl.2016.04.074
first author openalex	Cisneros	Cisneros

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/j.bmcl.2016.04.074
OpenAlex: W2346439745

Match decisions

doi merged · 1.00 · Run 18

2016 Lee, W.-G.; Chan, A. H.; Spasov, K.A.; Anderson, K. A.; Jorgensen, W. L. ACS Med. Chem. Lett. article journal CV OA GS needs review

CV span

lines 2169–2170 · CV · unverified · published

2169Lee, W.-G.; Chan, A. H.; Spasov, K.A.; Anderson, K. A.; Jorgensen, W. L.2170ACS Med. Chem. Lett. 2016, 7, 1156-1160.

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, W.-G.; Chan, A. H.; Spasov, K.A.; Anderson, K. A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Lee, W.-G.; Chan, A. H.; Spasov, K.A.; Anderson, K. A.; Jorgensen, W. L.
year cv	2016
venue cv	ACS Med. Chem. Lett.
kind cv	article
first author cv	Lee

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2132–2137 · CV · published

2132408. OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and2133Proteins.2134Harder, E.; Damm, W.; Maple, J.; Wu, C. J.; Reboul, M.; Xiang, J. Y.; Wang, L. L.:2135Lupyan, D.; Dahlgren, M. K.; Knight, J. L.; Kaus, J. W.; Cerutti, D. S.; Krilov, G.;2136Jorgensen, W. L.; Abel, R.; Friesner, R. A.2137J. Chem. Theory Comput. 2016, 12, 281-296.

Institution fields

Peer reviewed: yes
First author: Harder
Co-authors: Harder, E.; Damm, W.; Maple, J.; Wu, C. J.; Reboul, M.; Xiang, J. Y.; Wang, L. L.; Lupyan, D.; Dahlgren, M. K.; Knight, J. L.; Kaus, J. W.; Cerutti, D. S.; Krilov, G.; Jorgensen, W. L.; Abel, R.; Friesner, R. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins	OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins	OPLS3: a force field providing broad coverage of drug-like small molecules and proteins
year cv	2016	2015	2016
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/acs.jctc.5b00864	10.1021/acs.jctc.5b00864
first author openalex	Harder	Harder	Harder

Citations

OpenAlex: 3190
Scholar: 3609
DOI: 10.1021/acs.jctc.5b00864
OpenAlex: W2222589778

Match decisions

doi merged · 1.00 · Run 18

2016 Performance of Protein-Ligand Force Fields for the Flavodoxin - Flavin Mononucleotide Complex The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 2158–2161 · CV · published

2158413. Performance of Protein-Ligand Force Fields for the Flavodoxin - Flavin Mononucleotide2159Complex.2160Robertson, M. G.; Tirado-Rives, J.; Jorgensen, W. L.2161J. Phys. Chem. Lett. 2016, 7, 3032-3036.

Institution fields

Peer reviewed: yes
First author: Robertson
Co-authors: Robertson, M. G.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Performance of Protein-Ligand Force Fields for the Flavodoxin - Flavin Mononucleotide Complex	Performance of Protein–Ligand Force Fields for the Flavodoxin–Flavin Mononucleotide System
year cv	2016	2016
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acs.jpclett.6b01229	10.1021/acs.jpclett.6b01229
first author openalex	Robertson	Robertson

Citations

OpenAlex: 18
Scholar: none
DOI: 10.1021/acs.jpclett.6b01229
OpenAlex: W2476526299

Match decisions

doi merged · 1.00 · Run 18

2015 Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field Journal of the American Chemical Society article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field	Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
year openalex	2015	2015
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/ja512751q
first author openalex	Wang	Wang

Citations

OpenAlex: 1433
Scholar: 1539
DOI: 10.1021/ja512751q
OpenAlex: W2154670681

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2015 Accurate and Reliable Prediction of Relative Protein-Ligand Binding Affinities via Free Energy Calculations: Validation in Prospective Drug Discovery J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 2091–2098 · CV · published

2091400. Accurate and Reliable Prediction of Relative Protein-Ligand Binding Affinities via Free2092Energy Calculations: Validation in Prospective Drug Discovery.2093Wang, L.; Wu, Y.; Deng, Y.; Kim, B.; Pierce, L.; Krilov, G.; Lupyan, D.; Robinson,2094S.; Dahlgren, M. K.; Greenwood, J.; Romero, D. L.; Masse, C.; Knght, J. L.;2095Steinbrecher, T.; Beuming, T.; Damm, W.; Harder, E.; Sherman, W.; Brewer, M.;2096Wester, R.; Murcko, M.; Frye, L.; Farid, R.; Lin, T. Mobley, D. L.; Jorgensen, W.2097L.; Berne, B. J.; Friesner, R. A.; Abel, R. J. Am. Chem. Soc. 2015, 137, 2695-2703.2098

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Wang, L.; Wu, Y.; Deng, Y.; Kim, B.; Pierce, L.; Krilov, G.; Lupyan, D.; Robinson, S.; Dahlgren, M. K.; Greenwood, J.; Romero, D. L.; Masse, C.; Knght, J. L.; Steinbrecher, T.; Beuming, T.; Damm, W.; Harder, E.; Sherman, W.; Brewer, M.; Wester, R.; Murcko, M.; Frye, L.; Farid, R.; Lin, T.; Mobley, D. L.; Jorgensen, W. L.; Berne, B. J.; Friesner, R. A.; Abel, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Accurate and Reliable Prediction of Relative Protein-Ligand Binding Affinities via Free Energy Calculations: Validation in Prospective Drug Discovery
year cv	2015
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Wang

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

2015 A nanotherapy strategy significantly enhances anticryptosporidial activity of an inhibitor of bifunctional thymidylate synthase-dihydrofolate reductase from Cryptosporidium Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2099–2103 · CV · published

2099401. A nanotherapy strategy significantly enhances anticryptosporidial activity of an inhibitor2100of bifunctional thymidylate synthase-dihydrofolate reductase from Cryptosporidium.2101Mukerjee, A.; Iyidogan, P.; Castellanos-Gonzalez, A.; Cisneros, J. A.; Czyzyk, D.;2102Ranjan, A.P.; Jorgensen, W. L.; White, A.C., Jr.; Vishwanatha, J.K.; Anderson, K.S.2103Bioorg. Med. Chem. Lett. 2015, 25, 2065-2067.

Institution fields

Peer reviewed: yes
First author: Mukerjee
Co-authors: Mukerjee, A.; Iyidogan, P.; Castellanos-Gonzalez, A.; Cisneros, J. A.; Czyzyk, D.; Ranjan, A.P.; Jorgensen, W. L.; White, A.C., Jr.; Vishwanatha, J.K.; Anderson, K.S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A nanotherapy strategy significantly enhances anticryptosporidial activity of an inhibitor of bifunctional thymidylate synthase-dihydrofolate reductase from Cryptosporidium	A nanotherapy strategy significantly enhances anticryptosporidial activity of an inhibitor of bifunctional thymidylate synthase-dihydrofolate reductase from Cryptosporidium
year cv	2015	2015
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2015.03.091	10.1016/j.bmcl.2015.03.091
first author openalex	Mukerjee	Mukerjee

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1016/j.bmcl.2015.03.091
OpenAlex: W2026165430

Match decisions

doi merged · 1.00 · Run 18

2015 Application of a BOSS-Gaussian Interface for QM/MM Simulations of Henry and Methyl Transfer Reactions. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 2113–2117 · CV · published

2113404. Application of a BOSS-Gaussian Interface for QM/MM Simulations of Henry and2114Methyl Transfer Reactions..2115Vilseck, J. Z.; Kostal, J.; Tirado-Rives, J.; Jorgensen, W. L.2116J. Comput. Chem. 2015, 36, 2064-2074. Schleyer Memorial Issue. PMID:263115312117

Institution fields

Peer reviewed: yes
First author: Vilseck
Co-authors: Vilseck, J. Z.; Kostal, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Application of a BOSS-Gaussian Interface for QM/MM Simulations of Henry and Methyl Transfer Reactions.	Application of a BOSS—Gaussian interface for QM/MM simulations of H enry and methyl transfer reactions
year cv	2015	2015
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.24045	10.1002/jcc.24045
first author openalex	Vilseck	Vilseck

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1002/jcc.24045
OpenAlex: W1901747619

Match decisions

doi merged · 1.00 · Run 18

2015 A Reflection on Paul von Ragué Schleyer Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2060–2061 · CV · published

2060393. A Reflection on Paul von Ragué Schleyer.2061Jorgensen, W. L. J Chem. Theory Comput. 2015, 11, 1-1.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A Reflection on Paul von Ragué Schleyer	A Reflection on Paul von Ragué Schleyer
year cv	2015	2014
venue crossref	J Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct501095w	10.1021/ct501095w
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 2
Scholar: none
DOI: 10.1021/ct501095w
OpenAlex: W2322872609

Match decisions

doi merged · 1.00 · Run 18

2015 Compounds and methods for the treatment of viruses and cancer US Patent 9,018,209 other CV OA GS

CV span

lines 2411–2412 · CV · published

2411Compounds and methods for the treatment of viruses and cancer.2412WL Jorgensen, J Ruiz-Caro, Juliana, AD Hamilton, Andrew D. US Patent 9,018,209 (2015)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; J Ruiz-Caro, Juliana; AD Hamilton, Andrew D.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Compounds and methods for the treatment of viruses and cancer
year cv	2015
venue cv	US Patent 9,018,209
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Design, Synthesis, and Protein Crystallography of Biaryltriazoles as Potent Tautomerase Inhibitors of Macrophage Migration Inhibitory Factor Journal of the American Chemical Society article journal CV OA GS

CV span

lines 2071–2075 · CV · published

2071396. Design, Synthesis, and Protein Crystallography of Biaryltriazoles as Potent Tautomerase2072Inhibitors of Macrophage Migration Inhibitory Factor.2073Dziedzic, P.; Cisneros, J. A.; Robertson, M. J.; Hare, A. A.; Danford, N. E.; Baxter,2074R. H. G.; Jorgensen, W. L.2075J. Am. Chem. Soc. 2015, 137, 2996-3003. PMCID: PMC4386841

Institution fields

Peer reviewed: yes
First author: Dziedzic
Co-authors: Dziedzic, P.; Cisneros, J. A.; Robertson, M. J.; Hare, A. A.; Danford, N. E.; Baxter, R. H. G.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Design, Synthesis, and Protein Crystallography of Biaryltriazoles as Potent Tautomerase Inhibitors of Macrophage Migration Inhibitory Factor	Design, Synthesis, and Protein Crystallography of Biaryltriazoles as Potent Tautomerase Inhibitors of Macrophage Migration Inhibitory Factor	Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor
year cv	2015	2015	2015
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja512112j	10.1021/ja512112j
first author openalex	Dziedzic	Dziedzic	Dziedzic

Citations

OpenAlex: 78
Scholar: 100
DOI: 10.1021/ja512112j
OpenAlex: W2010875534

Match decisions

doi merged · 1.00 · Run 18

2015 Determination of Partial Molar Volumes from Free Energy Perturbation Theory Physical Chemistry Chemical Physics article journal CV OA GS

CV span

lines 2077–2080 · CV · published

2077397. Determination of Partial Molar Volumes from Free Energy Perturbation Theory.2078Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L. Phys. Chem. Chem. Phys. 2015,207917, 8407-8415. Special Issue on Solvation Science. PMID: 255893432080

Institution fields

Peer reviewed: yes
First author: Vilseck
Co-authors: Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Determination of Partial Molar Volumes from Free Energy Perturbation Theory	Determination of partial molar volumes from free energy perturbation theory
year cv	2015	2015
venue crossref	Phys. Chem. Chem. Phys.	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	article
DOI crossref	10.1039/c4cp05304d	10.1039/c4cp05304d
first author openalex	Vilseck	Vilseck

Citations

OpenAlex: 19
Scholar: none
DOI: 10.1039/c4cp05304d
OpenAlex: W2084748081

Match decisions

doi merged · 1.00 · Run 18

2015 Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2118–2122 · CV · published

2118405. Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-12119reverse transcriptase.2120Lee, W.-G.; Frey,K. M.; Gallardo-Macias, R.; Spasov, K. A.; Chan, A. H.;2121Anderson, K. S.; Jorgensen, W. L. Bioorg. Med. Chem. Lett. 2015, 25, 4824-4827.2122

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, W.-G.; Frey,K. M.; Gallardo-Macias, R.; Spasov, K. A.; Chan, A. H.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase	Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase
year cv	2015	2015
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2015.06.074	10.1016/j.bmcl.2015.06.074
first author openalex	Lee	Lee

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1016/j.bmcl.2015.06.074
OpenAlex: W1934030222

Match decisions

doi merged · 1.00 · Run 18

2015 Endothelial CD74 mediates macrophage migration inhibitory factor protection in hyperoxic lung injury The FASEB Journal article journal CV OA GS

CV span

lines 2086–2090 · CV · published

2086399. Endothelial CD74 mediates macrophage migration inhibitory factor protection in2087hyperoxic lung injury.2088Sauler, M.; Zhang, Y.; Min, J. N.; Leng, L.; Shan, P. Y.; Roberts, S.; Jorgensen, W.2089L.; Bucala, R.; Lee, P. J. FASEB J. 2015, 29, 1940-1949. PMID: 25609432.2090

Institution fields

Peer reviewed: yes
First author: Sauler
Co-authors: Sauler, M.; Zhang, Y.; Min, J. N.; Leng, L.; Shan, P. Y.; Roberts, S.; Jorgensen, W. L.; Bucala, R.; Lee, P. J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Endothelial CD74 mediates macrophage migration inhibitory factor protection in hyperoxic lung injury	Endothelial CD74 mediates macrophage migration inhibitory factor protection in hyperoxic lung injury
year cv	2015	2015
venue crossref	FASEB J.	The FASEB Journal	The FASEB Journal
kind cv	article	article
DOI crossref	10.1096/fj.14-260299	10.1096/fj.14-260299
first author openalex	Sauler	Sauler

Citations

OpenAlex: 48
Scholar: none
DOI: 10.1096/fj.14-260299
OpenAlex: W1979531581

Match decisions

doi merged · 1.00 · Run 18

2015 Evaluation of CM5 Charges for Modeling Non-Aqueous Condensed Phase Systems J. Chem. Theory Comput. article journal CV OA GS

CV span

lines 2109–2112 · CV · published

2109403. Evaluation of CM5 Charges for Modeling Non-Aqueous Condensed Phase Systems.2110Dodda, L. S.; Vilseck, J. Z.; Cutrona, K. J.; Jorgensen, W. L.2111J. Chem. Theory Comput. 2015, 11, 4273-4282. PMID: 48577642112

Institution fields

Peer reviewed: yes
First author: Dodda
Co-authors: Dodda, L. S.; Vilseck, J. Z.; Cutrona, K. J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Evaluation of CM5 Charges for Modeling Non-Aqueous Condensed Phase Systems
year cv	2015
venue cv	J. Chem. Theory Comput.
kind cv	article
first author cv	Dodda

Citations

OpenAlex: none
Scholar: none

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ct500016d and title on evaluation of CM5 charges.

2015 Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling	Evaluation of CM5 charges for nonaqueous condensed-phase modeling
year openalex	2015	2015
venue openalex	Journal of Chemical Theory and Computation	Journal of chemical theory and computation
kind openalex	article	other
DOI openalex	10.1021/acs.jctc.5b00414
first author openalex	Dodda	Dodda

Citations

OpenAlex: 78
Scholar: 90
DOI: 10.1021/acs.jctc.5b00414
OpenAlex: W2341723739

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ct500016d and title on evaluation of CM5 charges.

2015 Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals Journal of Chemical Education article journal CV OA GS

CV span

lines 2129–2130 · CV · published

2129407. Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals.2130Robertson, M. J.; Jorgensen, W. L. J. Chem. Educ. 2015, 92, 2113-2116.

Institution fields

Peer reviewed: yes
First author: Robertson
Co-authors: Robertson, M. J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals	Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals	Illustrating concepts in physical organic chemistry with 3D printed orbitals
year cv	2015	2015	2015
venue crossref	J. Chem. Educ.	Journal of Chemical Education	Journal of Chemical Education	Journal of Chemical Education
kind cv	article	article	other
DOI crossref	10.1021/acs.jchemed.5b00682	10.1021/acs.jchemed.5b00682
first author openalex	Robertson	Robertson	Robertson

Citations

OpenAlex: 69
Scholar: 89
DOI: 10.1021/acs.jchemed.5b00682
OpenAlex: W2234101639

Match decisions

doi merged · 1.00 · Run 18

2015 Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2105–2108 · CV · published

2105402. Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field.2106Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W.L.2107J. Chem. Theory Comput. 2015, 11, 3499-3509.2108

Institution fields

Peer reviewed: yes
First author: Robertson
Co-authors: Robertson, M. J.; Tirado-Rives, J.; Jorgensen, W.L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field	Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field	Improved peptide and protein torsional energetics with the OPLS-AA force field
year cv	2015	2015	2015
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/acs.jctc.5b00356	10.1021/acs.jctc.5b00356
first author openalex	Robertson	Robertson	Robertson

Citations

OpenAlex: 894
Scholar: 1034
DOI: 10.1021/acs.jctc.5b00356
OpenAlex: W2420659973

Match decisions

doi merged · 1.00 · Run 18

2015 Macrophage migration inhibitory factor (MIF) is detrimental in pneumococcal pneumonia and a target for therapeutic immunomodulation Journal of Infectious Diseases article journal CV OA GS

CV span

lines 2055–2058 · CV · published

2055392. Macrophage migration inhibitory factor (MIF) is detrimental in pneumococcal2056pneumonia and a target for therapeutic immunomodulation.2057Weiser, J. N.; Roche, A. M.; Hergott, C. B.; LaRose, M. I.; Connolly, T.; Jorgensen,2058W. L.; Leng, L.; Bucala, R.; Das, R. J. Infect. Diseases 2015, 212, 1677-1682.

Institution fields

Peer reviewed: yes
First author: Weiser
Co-authors: Weiser, J. N.; Roche, A. M.; Hergott, C. B.; LaRose, M. I.; Connolly, T.; Jorgensen, W. L.; Leng, L.; Bucala, R.; Das, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Macrophage migration inhibitory factor (MIF) is detrimental in pneumococcal pneumonia and a target for therapeutic immunomodulation	Macrophage Migration Inhibitory Factor Is Detrimental in Pneumococcal Pneumonia and a Target for Therapeutic Immunomodulation
year cv	2015	2015
venue crossref	J. Infect. Diseases	The Journal of Infectious Diseases	Journal of Infectious Diseases
kind cv	article	article
DOI crossref	10.1093/infdis/jiv262	10.1093/infdis/jiv262
first author openalex	Weiser	Weiser

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1093/infdis/jiv262
OpenAlex: W1941070784

Match decisions

doi merged · 1.00 · Run 18

2015 Molecular Dynamics and Monte Carlo Simulations for Protein-Ligand Binding and Inhibitor Design Biochimica et Biophysica Acta (BBA) - General Subjects article journal CV OA GS

CV span

lines 2063–2066 · CV · published

2063394. Molecular Dynamics and Monte Carlo Simulations for Protein-Ligand Binding and2064Inhibitor Design.2065Cole, D. J.; Tirado-Rives, J.; Jorgensen, W. L.2066Biochim. Biophys. Acta. 2015, 1850, 966-971.

Institution fields

Peer reviewed: yes
First author: Cole
Co-authors: Cole, D. J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Molecular Dynamics and Monte Carlo Simulations for Protein-Ligand Binding and Inhibitor Design	Molecular dynamics and Monte Carlo simulations for protein–ligand binding and inhibitor design
year cv	2015	2014
venue crossref	Biochim. Biophys. Acta.	Biochimica et Biophysica Acta (BBA) - General Subjects	Biochimica et Biophysica Acta (BBA) - General Subjects
kind cv	article	article
DOI crossref	10.1016/j.bbagen.2014.08.018	10.1016/j.bbagen.2014.08.018
first author openalex	Cole	Cole

Citations

OpenAlex: 90
Scholar: none
DOI: 10.1016/j.bbagen.2014.08.018
OpenAlex: W2039903085

Match decisions

doi merged · 1.00 · Run 18

2015 Potent Inhibitors Active Against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2123–2127 · CV · published

2123406. Potent Inhibitors Active Against HIV Reverse Transcriptase with K101P, a2124Mutation Conferring Rilpivirine Resistance.2125Gray, W. T.; Frey, K. M.; Laskey, S. B.; Mislak, A. C.; Spasov, K. A.; Lee, W.-G.;2126Bollini, M.; Siliciano, R. F.; Jorgensen, W. L.; Anderson, K. S.2127ACS Med. Chem. Lett. 2015, 6, 1075-1079.

Institution fields

Peer reviewed: yes
First author: Gray
Co-authors: Gray, W. T.; Frey, K. M.; Laskey, S. B.; Mislak, A. C.; Spasov, K. A.; Lee, W.-G.; Bollini, M.; Siliciano, R. F.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Potent Inhibitors Active Against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance	Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance
year cv	2015	2015
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acsmedchemlett.5b00254	10.1021/acsmedchemlett.5b00254
first author openalex	Gray	Gray

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1021/acsmedchemlett.5b00254
OpenAlex: W2277530386

Match decisions

doi merged · 1.00 · Run 18

2015 Preparation of heterocyclyloxyphenoxyethyl substituted pyrimidine-2,4(1H,3H)-diones for treating HIV infections U.S. Pat. Appl. Publ. (2015), US 20150105351 A1 other CV OA GS

CV span

lines 2414–2416 · CV · published

2414Preparation of heterocyclyloxyphenoxyethyl substituted pyrimidine-2,4(1H,3H)-diones for2415treating HIV infections.2416WL Jorgensen, KS Anderson - U.S. Pat. Appl. Publ. (2015), US 20150105351 A1 20150416

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; KS Anderson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Preparation of heterocyclyloxyphenoxyethyl substituted pyrimidine-2,4(1H,3H)-diones for treating HIV infections
year cv	2015
venue cv	U.S. Pat. Appl. Publ. (2015), US 20150105351 A1
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Scientific History and Recollections The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 2068–2069 · CV · published

2068395. Scientific History and Recollections.2069Jorgensen, W. L. J. Phys. Chem. B 2015, 119, 624-632.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Scientific History and Recollections	Autobiography of William L. Jorgensen: Scientific History and Recollections
year cv	2015	2015
venue openalex	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article	article
DOI openalex		10.1021/jp510442j
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1021/jp510442j
OpenAlex: W2323560433

Match decisions

gemini merged · 1.00 · Run 18 Both records share the DOI 10.1021/jp510442j and concern the scientific history and recollections of William L. Jorgensen.

2015 Structure-based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility that Target HIV Reverse Transcriptase Variants Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 2081–2085 · CV · published

2081398. Structure-based Evaluation of Non-nucleoside Inhibitors with Improved Potency and2082Solubility that Target HIV Reverse Transcriptase Variants.2083Frey, K. M.; Puleo, D. E.; Spasov, K. A.; Bollini, M.; Jorgensen, W. L.; Anderson,2084K. S. J. Med. Chem. 2015, 58, 2737-2745.2085

Institution fields

Peer reviewed: yes
First author: Frey
Co-authors: Frey, K. M.; Puleo, D. E.; Spasov, K. A.; Bollini, M.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure-based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility that Target HIV Reverse Transcriptase Variants	Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants
year cv	2015	2015
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm501908a	10.1021/jm501908a
first author openalex	Frey	Frey

Citations

OpenAlex: 49
Scholar: none
DOI: 10.1021/jm501908a
OpenAlex: W2019824077

Match decisions

doi merged · 1.00 · Run 18

2014 A Mechanistic and Structural Investigation of Modified Derivatives of the Diaryltriazine Class of NNRTIs Targeting HIV-1 Reverse Transcriptase Biochimica et Biophysica Acta (BBA) - General Subjects article journal CV OA GS

CV span

lines 2019–2022 · CV · published

2019385. A Mechanistic and Structural Investigation of Modified Derivatives of the Diaryltriazine2020Class of NNRTIs Targeting HIV-1 Reverse Transcriptase.2021Mislak, A. C.; Frey, M.; Bollini, M.; Jorgensen, W. L.; Anderson, K. S.2022Biochim. Biophys. Acta 2014, 1840, 2203-2211.

Institution fields

Peer reviewed: yes
First author: Mislak
Co-authors: Mislak, A. C.; Frey, M.; Bollini, M.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A Mechanistic and Structural Investigation of Modified Derivatives of the Diaryltriazine Class of NNRTIs Targeting HIV-1 Reverse Transcriptase	A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase
year cv	2014	2014
venue crossref	Biochim. Biophys. Acta	Biochimica et Biophysica Acta (BBA) - General Subjects	Biochimica et Biophysica Acta (BBA) - General Subjects
kind cv	article	article
DOI crossref	10.1016/j.bbagen.2014.04.001	10.1016/j.bbagen.2014.04.001
first author openalex	Mislak	Mislak

Citations

OpenAlex: 14
Scholar: none
DOI: 10.1016/j.bbagen.2014.04.001
OpenAlex: W2090443017

Match decisions

doi merged · 1.00 · Run 18

2014 Biochemical assays for discovery of TDP1/TDP2 inhibitors Molecular Cancer Therapeutics article journal CV OA GS

CV span

lines 2013–2017 · CV · published

2013384. Biochemical assays for discovery of TDP1/TDP2 inhibitors.2014Marchand, C.; Huang, S. N.; Dexheimer, T. S.; Lea, W. A.; Mott, B. T.; Chergui, A.;2015Naumova, A.; Rosenthal, A. S.; Raj, G.; Gao, R.; Maloney, D. J.; Jadhav, A.;2016Jorgensen, W. L.; Simeonov, A.; Pommier, Y.2017Mol. Cancer. Ther. 2014, 13, 2116-2126.

Institution fields

Peer reviewed: yes
First author: Marchand
Co-authors: Marchand, C.; Huang, S. N.; Dexheimer, T. S.; Lea, W. A.; Mott, B. T.; Chergui, A.; Naumova, A.; Rosenthal, A. S.; Raj, G.; Gao, R.; Maloney, D. J.; Jadhav, A.; Jorgensen, W. L.; Simeonov, A.; Pommier, Y.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Biochemical assays for discovery of TDP1/TDP2 inhibitors	Biochemical Assays for the Discovery of TDP1 Inhibitors
year cv	2014	2014
venue openalex	Mol. Cancer. Ther.	Molecular Cancer Therapeutics
kind cv	article	article
DOI openalex		10.1158/1535-7163.mct-13-0952
first author openalex	Marchand	Marchand

Citations

OpenAlex: 17
Scholar: none
DOI: 10.1158/1535-7163.mct-13-0952
OpenAlex: W1967938955

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase US Patent Publ. No. 20140356322 (2014); US Patent 10730862 reprint 2019 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptide… other CV OA GS

CV span

lines 2406–2409 · CV · published

2406Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other2407Polypeptides by an E3 Ubiquitin Ligase2408CM Crews, D Buckley, A Ciulli, W Jorgensen et al. - US Patent Publ. No. 201403563222409(2014); US Patent 10730862 (2020)

Institution fields

Peer reviewed: none
First author: Crews
Co-authors: CM Crews; D Buckley; A Ciulli; W Jorgensen et al.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase
year cv	2014
venue cv	US Patent Publ. No. 20140356322 (2014); US Patent 10730862
kind cv	other
first author cv	Crews

Citations

OpenAlex: none
Scholar: none
Scholar with related records: 226

Match decisions

No decision recorded; a single record.

2014 Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 2028–2031 · CV · published

2028387. Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling2029Systems.2030Yan, X. C.; Schyman, P.; Jorgensen, W. L.2031J. Phys. Chem. A 2014, 118, 2820-2826.

Institution fields

Peer reviewed: yes
First author: Yan
Co-authors: Yan, X. C.; Schyman, P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems	Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems
year cv	2014	2014
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article
DOI crossref	10.1021/jp501553j	10.1021/jp501553j
first author openalex	Yan	Yan

Citations

OpenAlex: 34
Scholar: none
DOI: 10.1021/jp501553j
OpenAlex: W2314893210

Match decisions

doi merged · 1.00 · Run 18

2014 Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 2038–2042 · CV · published

2038389. Crystallographic and Receptor Binding Characterization of Plasmodium falciparum2039Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.2040Pantouris, G.; Rajasekaran, D.; Garcia, A, B.; Ruiz, V. G.; Leng, L.; Jorgensen, W.2041L.; Bucala, R.; Lolis, E. J.2042J. Med. Chem. 2014, 57, 8652-8656.

Institution fields

Peer reviewed: yes
First author: Pantouris
Co-authors: Pantouris, G.; Rajasekaran, D.; Garcia, A, B.; Ruiz, V. G.; Leng, L.; Jorgensen, W. L.; Bucala, R.; Lolis, E. J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors	Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors
year cv	2014	2014
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm501168q	10.1021/jm501168q
first author openalex	Pantouris	Pantouris

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/jm501168q
OpenAlex: W1965888606

Match decisions

doi merged · 1.00 · Run 18

2014 Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2009–2011 · CV · published

2009383. Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering.2010Cole, D. J.; Tirado-Rives, J.; Jorgensen, W. L.2011J. Chem. Theory Comput. 2014, 10, 565-571.

Institution fields

Peer reviewed: yes
First author: Cole
Co-authors: Cole, D. J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering	Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering
year cv	2014	2014
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct400989x	10.1021/ct400989x
first author openalex	Cole	Cole

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1021/ct400989x
OpenAlex: W2037390827

Match decisions

doi merged · 1.00 · Run 18

2014 Evaluation of CM5 Charges for Condensed-Phase Modeling Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 2024–2026 · CV · published

2024386. Evaluation of CM5 Charges for Condensed-Phase Modeling.2025Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.2026J. Chem. Theory Comput. 2014, 10, 2802-2812. PMID: 25061445

Institution fields

Peer reviewed: yes
First author: Vilseck
Co-authors: Vilseck, J. Z.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Evaluation of CM5 Charges for Condensed-Phase Modeling	Evaluation of CM5 Charges for Condensed-Phase Modeling	Evaluation of CM5 charges for condensed-phase modeling
year cv	2014	2014	2014
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct500016d	10.1021/ct500016d
first author openalex	Vilseck	Vilseck	Vilseck

Citations

OpenAlex: 82
Scholar: 89
DOI: 10.1021/ct500016d
OpenAlex: W1988878203

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ct500016d and title on evaluation of CM5 charges.

2014 Illuminating gp120-Ligand Recognition through Computationally-Driven Optimization of Antibody-Recruiting Molecules Chem. Sci. article journal CV OA GS

CV span

lines 2003–2007 · CV · published

2003382. Illuminating gp120-Ligand Recognition through Computationally-Driven Optimization2004of Antibody-Recruiting Molecules.2005Parker, C. G.; Dahlgren, M. K.; Li, D. T.; Douglass, E. F.; Jawanda, N.; Shoda, T.;2006Spasov, K. A.; Domaoal, R. A.; Sutton, R.; Anderson, K. S.; Jorgensen, W. L.;2007Spiegel, D. A. Chem. Sci. 2014, 5, 2311-2317.

Institution fields

Peer reviewed: yes
First author: Parker
Co-authors: Parker, C. G.; Dahlgren, M. K.; Li, D. T.; Douglass, E. F.; Jawanda, N.; Shoda, T.; Spasov, K. A.; Domaoal, R. A.; Sutton, R.; Anderson, K. S.; Jorgensen, W. L.; Spiegel, D. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Illuminating gp120-Ligand Recognition through Computationally-Driven Optimization of Antibody-Recruiting Molecules	Illuminating HIV gp120-ligand recognition through computationally-driven optimization of antibody-recruiting molecules
year cv	2014	2014
venue crossref	Chem. Sci.	Chemical Science
kind cv	article	article
DOI crossref	10.1039/c4sc00484a	10.1039/c4sc00484a
first author openalex	Parker	Parker

Citations

OpenAlex: 23
Scholar: none
DOI: 10.1039/c4sc00484a
OpenAlex: W1983745950

Match decisions

doi merged · 1.00 · Run 18

2014 Novel Compositions and Methods of Treating HIV-1 Infections Using Same US Patent 20140378443 reprint 2018 Compositions and methods of treating HIV-1 infections using same other CV OA GS

CV span

lines 2403–2404 · CV · published

2403Novel Compositions and Methods of Treating HIV-1 Infections Using Same2404WL Jorgensen, KS Anderson - US Patent 20140378443 (2014)

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: WL Jorgensen; KS Anderson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Novel Compositions and Methods of Treating HIV-1 Infections Using Same
year cv	2014
venue cv	US Patent 20140378443
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2014 Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers ACS Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2050–2053 · CV · published

2050391. Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of2051Naphthyl Phenyl Ethers2052Lee, W.-G.; Frey,K. M.; Gallardo-Macias, R.; Spasov, K. A.; Bollini, M.; Anderson,2053K. S.; Jorgensen, W. L. ACS Med. Chem. Lett. 2014, 5, 1259-1262.

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, W.-G.; Frey,K. M.; Gallardo-Macias, R.; Spasov, K. A.; Bollini, M.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers	Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers
year cv	2014	2014
venue crossref	ACS Med. Chem. Lett.	ACS Medicinal Chemistry Letters	ACS Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/ml5003713	10.1021/ml5003713
first author openalex	Lee	Lee

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1021/ml5003713
OpenAlex: W2010567487

Match decisions

doi merged · 1.00 · Run 18

2014 Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions WIREs Computational Molecular Science article CV OA GS

CV span

lines 1998–2001 · CV · published

1998381. Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling1999Condensed-Phase Reactions.2000Acevedo, O.; Jorgensen, W. L.2001WIRE Comput. Mol. Sci. 2014, 4, 422-435.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions
year cv	2014
venue crossref	WIRE Comput. Mol. Sci.	WIREs Computational Molecular Science
kind cv	article
DOI crossref	10.1002/wcms.1180
first author cv	Acevedo

Citations

OpenAlex: none
Scholar: none
DOI: 10.1002/wcms.1180

Match decisions

No decision recorded; a single record.

2014 Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 2044–2048 · CV · published

2044390. Structural studies provide clues for analog design of specific inhibitors of2045Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.2046Kumar, V. P.; Cisneros, J. A.; Frey, K. M.; Castellanos-Gonzalez, A.; Wang, Y. Q.;2047Gangjee, A.; white, A. C.; Jorgensen, W. L.; Anerson, K. S.2048Bioorg. Med. Chem. Lett. 2014, 24, 4158-4161.

Institution fields

Peer reviewed: yes
First author: Kumar
Co-authors: Kumar, V. P.; Cisneros, J. A.; Frey, K. M.; Castellanos-Gonzalez, A.; Wang, Y. Q.; Gangjee, A.; white, A. C.; Jorgensen, W. L.; Anerson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase	Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase–dihydrofolate reductase
year cv	2014	2014
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2014.07.049	10.1016/j.bmcl.2014.07.049
first author openalex	Kumar	Kumar

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1016/j.bmcl.2014.07.049
OpenAlex: W1992990738

Match decisions

doi merged · 1.00 · Run 18

2014 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase Chemical Biology & Drug Design article journal CV OA GS

CV span

lines 1986–1990 · CV · published

1986379. Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting1987HIV-1 Reverse Transcriptase.1988Frey, K. M.; Gray, W. T.; Spasov, K. A.; Bollini, M.; Gallardo-Macias, R.;1989Jorgensen, W. L.; Anderson, K. S.1990Chem. Biol. Drug Des. 2014, 83, 541-549. doi: 10.1111/cbdd.12266

Institution fields

Peer reviewed: yes
First author: Frey
Co-authors: Frey, K. M.; Gray, W. T.; Spasov, K. A.; Bollini, M.; Gallardo-Macias, R.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase	Structure‐Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV ‐1 Reverse Transcriptase
year cv	2014	2013
venue crossref	Chem. Biol. Drug Des.	Chemical Biology & Drug Design	Chemical Biology & Drug Design
kind cv	article	article
DOI cv	10.1111/cbdd.12266	10.1111/cbdd.12266
first author openalex	Frey	Frey

Citations

OpenAlex: 18
Scholar: none
DOI: 10.1111/cbdd.12266
OpenAlex: W2071591594

Match decisions

doi merged · 1.00 · Run 18

2014 The Many Faces of Halogen Bonding: A Review of Theoretical Models and Methods WIREs Computational Molecular Science article journal CV OA GS

CV span

lines 2033–2036 · CV · published

2033388. The Many Faces of Halogen Bonding: A Review of Theoretical Models and Methods.2034Wolters, L. P.; Schyman, P.; Pavan, J.; Jorgensen, W. L.; Bickelhaupt, F. M.;2035Kozuch, S.2036WIRE Comput. Mol. Sci. 2014, 6, 523-540.

Institution fields

Peer reviewed: yes
First author: Wolters
Co-authors: Wolters, L. P.; Schyman, P.; Pavan, J.; Jorgensen, W. L.; Bickelhaupt, F. M.; Kozuch, S.
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Many Faces of Halogen Bonding: A Review of Theoretical Models and Methods	The many faces of halogen bonding: a review of theoretical models and methods	The many faces of halogen bonding: A review of theoretical models and methods
year cv	2014	2014	2014
venue crossref	WIRE Comput. Mol. Sci.	Wiley Interdisciplinary Reviews Computational Molecular Science	Wiley Interdisciplinary Reviews: Computational Molecular Science	WIREs Computational Molecular Science
kind cv	article	article	other
DOI crossref	10.1002/wcms.1189	10.1002/wcms.1189
first author openalex	Wolters	Wolters	Wolters

Citations

OpenAlex: 216
Scholar: 262
DOI: 10.1002/wcms.1189
OpenAlex: W2121828318

Match decisions

doi merged · 1.00 · Run 18

2014 Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase-dihydrofolate reductase Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1992–1996 · CV · published

1992380. Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate1993synthase-dihydrofolate reductase.1994Sharma, H.; Landau, M. J.; Sullivan, T. J.; Kumar, V. P.; Dahlgren, M. K.;1995Jorgensen, W. L.; Anderson, K. S.1996Bioorg. Med. Chem. Lett. 2014, 24, 1232-1235.

Institution fields

Peer reviewed: yes
First author: Sharma
Co-authors: Sharma, H.; Landau, M. J.; Sullivan, T. J.; Kumar, V. P.; Dahlgren, M. K.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase-dihydrofolate reductase	Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase–dihydrofolate reductase
year cv	2014	2014
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2013.12.039	10.1016/j.bmcl.2013.12.039
first author openalex	Sharma	Sharma

Citations

OpenAlex: 10
Scholar: none
DOI: 10.1016/j.bmcl.2013.12.039
OpenAlex: W2013433800

Match decisions

doi merged · 1.00 · Run 18

2014 Wiley Interdiscip Rev.: Comput. Mol. Sci article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Wiley Interdiscip
year scholar			2014
venue scholar			Rev.: Comput. Mol. Sci
kind scholar			other
first author scholar			Wolters

Citations

OpenAlex: none
Scholar: 109

Match decisions

No decision recorded; a single record.

2013 Arnold, E.; Anderson, K. S.; Jorgensen, W. L. Bioorg. Med. Chem. Lett. article journal CV OA GS needs review

CV span

lines 1968–1970 · CV · unverified · published

1968Arnold, E.; Anderson, K. S.; Jorgensen, W. L.1969Bioorg. Med. Chem. Lett. 2013, 23, 5209-5912. PMID: 23899617; PMCID:1970PMC3761378

Institution fields

Peer reviewed: yes
First author: Arnold
Co-authors: Arnold, E.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Arnold, E.; Anderson, K. S.; Jorgensen, W. L.
year cv	2013
venue cv	Bioorg. Med. Chem. Lett.
kind cv	article
first author cv	Arnold

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2013 Automated ligand- and structure-based protocol for in silico prediction of Human Serum Albumin binding. Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 1932–1935 · CV · published

1932369. Automated ligand- and structure-based protocol for in silico prediction of Human Serum1933Albumin binding.1934Hall, M. L.; Jorgensen, W. L.; Whitehead L. J. Chem. Info. Model. 2013, 53, 907-1935922. PMID:23472823

Institution fields

Peer reviewed: yes
First author: Hall
Co-authors: Hall, M. L.; Jorgensen, W. L.; Whitehead L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Automated ligand- and structure-based protocol for in silico prediction of Human Serum Albumin binding.	Automated Ligand- and Structure-Based Protocol for in Silico Prediction of Human Serum Albumin Binding
year cv	2013	2013
venue crossref	J. Chem. Info. Model.	Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling
kind cv	article	article
DOI crossref	10.1021/ci3006098	10.1021/ci3006098
first author openalex	Hall	Hall

Citations

OpenAlex: 50
Scholar: none
DOI: 10.1021/ci3006098
OpenAlex: W2077885333

Match decisions

doi merged · 1.00 · Run 18

2013 Bifunctional Inhibition of HIV-1 Reverse Transcriptase: Mechanism and proof-of- concept as a novel therapeutic design strategy. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1944–1948 · CV · published

1944371. Bifunctional Inhibition of HIV-1 Reverse Transcriptase: Mechanism and proof-of-1945concept as a novel therapeutic design strategy.1946Bailey, C.; Sullivan, T.; Iyidogan, P.; Tirado-Rives, J.; Chung, R.; Ruiz-Caro, J.;1947Mohamed, E.; Jorgensen, W. L.; Hunter, R.; Anderson, K. A. J. Med. Chem. 2013, 56,19483959-3968.

Institution fields

Peer reviewed: yes
First author: Bailey
Co-authors: Bailey, C.; Sullivan, T.; Iyidogan, P.; Tirado-Rives, J.; Chung, R.; Ruiz-Caro, J.; Mohamed, E.; Jorgensen, W. L.; Hunter, R.; Anderson, K. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Bifunctional Inhibition of HIV-1 Reverse Transcriptase: Mechanism and proof-of- concept as a novel therapeutic design strategy.	Bifunctional Inhibition of Human Immunodeficiency Virus Type 1 Reverse Transcriptase: Mechanism and Proof-of-Concept as a Novel Therapeutic Design Strategy
year cv	2013	2013
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm400160s	10.1021/jm400160s
first author openalex	Bailey	Bailey

Citations

OpenAlex: 23
Scholar: none
DOI: 10.1021/jm400160s
OpenAlex: W2059291493

Match decisions

gemini merged · 1.00 · Run 18 Both records share the same DOI 10.1021/jm400160s and title about bifunctional inhibition of HIV-1 reverse transcriptase.

2013 Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields. Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 1956–1959 · CV · published

1956373. Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom1957Force Fields.1958Dahlgren, M. K.; Schyman, P.; Tirado-Rives, J.; Jorgensen, W. L.1959J. Chem. Inf. Model. 2013, 53, 1191-1199. PMID:23621692; PMCID:PMC3707137

Institution fields

Peer reviewed: yes
First author: Dahlgren
Co-authors: Dahlgren, M. K.; Schyman, P.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields.	Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields	Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fields
year cv	2013	2013	2013
venue crossref	J. Chem. Inf. Model.	Journal of Chemical Information and Modeling	Journal of chemical information and modeling	Journal of Chemical Information and Modeling
kind cv	article	article	other
DOI crossref	10.1021/ci4001597	10.1021/ci4001597
first author openalex	Dahlgren	Dahlgren	Dahlgren

Citations

OpenAlex: 126
Scholar: 141
DOI: 10.1021/ci4001597
OpenAlex: W2087925988

Match decisions

doi merged · 1.00 · Run 18

2013 Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force Field. The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1927–1930 · CV · published

1927368. Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force1928Field.1929Schyman, P.; Jorgensen, W. L. J. Phys. Chem. Lett. 2013, 4, 468-474.1930PMID:23440601; PMCID: PMC3579643

Institution fields

Peer reviewed: yes
First author: Schyman
Co-authors: Schyman, P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force Field.	Exploring Adsorption of Water and Ions on Carbon Surfaces Using a Polarizable Force Field
year cv	2013	2013
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/jz302085c	10.1021/jz302085c
first author openalex	Schyman	Schyman

Citations

OpenAlex: 69
Scholar: none
DOI: 10.1021/jz302085c
OpenAlex: W1963821877

Match decisions

doi merged · 1.00 · Run 18

2013 Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility Bioorganic & Medicinal Chemistry Letters article journal CV OA GS needs review

CV span

lines 1965–1967 · CV · unverified · unknown

1965375. Extension into the entrance channel of HIV 1 reverse transcriptase – Crystallography1966and enhanced solubility.1967Bollini, M.; Frey, K. M.; Cisneros, J. A.; Spasov, K. A.; Das, K.; Bauman, J. D.;

Institution fields

Peer reviewed: none
First author: Bollini
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Extension into the entrance channel of HIV 1 reverse transcriptase – Crystallography and enhanced solubility.	Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
year openalex		2013
venue openalex		Bioorganic & Medicinal Chemistry Letters
kind openalex	article	article
DOI openalex		10.1016/j.bmcl.2013.06.093
first author openalex	Bollini	Bollini

Citations

OpenAlex: 40
Scholar: none
DOI: 10.1016/j.bmcl.2013.06.093
OpenAlex: W2169337841

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Foundations of Biomolecular Modeling Cell article journal CV OA GS

CV span

lines 1983–1984 · CV · published

1983378. Foundations of Biomolecular Modeling.1984Jorgensen, W. L. Cell 2013, 155, 1199-1202.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Foundations of Biomolecular Modeling	Foundations of Biomolecular Modeling
year cv	2013	2013
venue crossref	Cell	Cell
kind cv	article	article
DOI crossref	10.1016/j.cell.2013.11.023	10.1016/j.cell.2013.11.023
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 38
Scholar: none
DOI: 10.1016/j.cell.2013.11.023
OpenAlex: W2052014829

Match decisions

doi merged · 1.00 · Run 18

2013 Limiting Cardiac Ischemia by Pharmacologic Augmentation of MIF-AMPK Signal Transduction. Circulation article journal CV OA GS

CV span

lines 1950–1954 · CV · published

1950372. Limiting Cardiac Ischemia by Pharmacologic Augmentation of MIF-AMPK Signal1951Transduction.1952Wang, J.; Yan, X.; Yeung, E.; Gandavadi, S.; Hare, A. A.; Du, X.; Chen, Y.; Xiong,1953H.; Leng, L.; Young, L.; Jorgensen, W. L.; Li, J.; Bucala, R.1954Circulation 2013, 128, 225-236. PMID:23753877

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Wang, J.; Yan, X.; Yeung, E.; Gandavadi, S.; Hare, A. A.; Du, X.; Chen, Y.; Xiong, H.; Leng, L.; Young, L.; Jorgensen, W. L.; Li, J.; Bucala, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Limiting Cardiac Ischemia by Pharmacologic Augmentation of MIF-AMPK Signal Transduction.
year cv	2013
venue cv	Circulation
kind cv	article
first author cv	Wang

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2013 Limiting Cardiac Ischemic Injury by Pharmacological Augmentation of Macrophage Migration Inhibitory Factor–AMP-Activated Protein Kinase Signal Transduction Circulation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Limiting Cardiac Ischemic Injury by Pharmacological Augmentation of Macrophage Migration Inhibitory Factor–AMP-Activated Protein Kinase Signal Transduction	Limiting cardiac ischemic injury by pharmacological augmentation of macrophage migration inhibitory factor–AMP-activated protein kinase signal transduction
year openalex	2013	2013
venue openalex	Circulation	Circulation
kind openalex	article	other
DOI openalex	10.1161/circulationaha.112.000862
first author openalex	Wang	Wang

Citations

OpenAlex: 89
Scholar: 97
DOI: 10.1161/circulationaha.112.000862
OpenAlex: W2057846421

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1920–1925 · CV · published

1920367. Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse1921transcriptase to enhance Y181C potency.1922Bollini, M.; Gallardo-Macias, R.; Spasov, K. A.; Tirado-Rives, J.; Anderson, K. S.;1923Jorgensen, W. L.1924Bioorg. Med. Chem. Lett. 2013, 23, 1110-1113. PMID: 23298809; PMCID:1925PMC3561933.

Institution fields

Peer reviewed: yes
First author: Bollini
Co-authors: Bollini, M.; Gallardo-Macias, R.; Spasov, K. A.; Tirado-Rives, J.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency.	Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
year cv	2013	2012
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2012.11.115	10.1016/j.bmcl.2012.11.115
first author openalex	Bollini	Bollini

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1016/j.bmcl.2012.11.115
OpenAlex: W2092178115

Match decisions

doi merged · 1.00 · Run 18

2013 Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1972–1975 · CV · published

1972376. Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility.1973Bollini, M.; Cisneros, J. A.; Spasov, K. A.; Anderson, K. S.; Jorgensen, W. L.1974Bioorg. Med. Chem. Lett. 2013, 23, 5213-5216.1975PMID:23937980; PMCID: PMC3759246.

Institution fields

Peer reviewed: yes
First author: Bollini
Co-authors: Bollini, M.; Cisneros, J. A.; Spasov, K. A.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility	Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility
year cv	2013	2013
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2013.06.091	10.1016/j.bmcl.2013.06.091
first author openalex	Bollini	Bollini

Citations

OpenAlex: 35
Scholar: none
DOI: 10.1016/j.bmcl.2013.06.091
OpenAlex: W2079468061

Match decisions

doi merged · 1.00 · Run 18

2013 Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1977–1981 · CV · published

1977377. Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a1978Cyanovinylphenyl Group.1979Lee, W.-G.; Gallardo-Macias, R.; Frey, K. M.; Spasov, K. A.; Bollini, M.; Anderson,1980K. S.; Jorgensen, W. L.1981J. Am. Chem. Soc. 2013, 135, 16705-16713. PMID: 24151856

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, W.-G.; Gallardo-Macias, R.; Frey, K. M.; Spasov, K. A.; Bollini, M.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group	Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group	Picomolar inhibitors of HIV reverse transcriptase featuring bicyclic replacement of a cyanovinylphenyl group
year cv	2013	2013	2013
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja408917n	10.1021/ja408917n
first author openalex	Lee	Lee	Lee

Citations

OpenAlex: 127
Scholar: 111
DOI: 10.1021/ja408917n
OpenAlex: W2065294654

Match decisions

doi merged · 1.00 · Run 18

2013 Polarized Protein-Specific Charges from AIM Electron Density Partitioning. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1961–1963 · CV · published

1961374. Polarized Protein-Specific Charges from AIM Electron Density Partitioning.1962Lee, L. P.; Cole, D. J.; Skylaris, C.-K.; Jorgensen, W. L.; Payne, M. C.1963J. Chem. Theory Comput. 2013, 9, 2981-2991. PMID:23894231

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, L. P.; Cole, D. J.; Skylaris, C.-K.; Jorgensen, W. L.; Payne, M. C.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Polarized Protein-Specific Charges from AIM Electron Density Partitioning.	Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
year cv	2013	2013
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct400279d	10.1021/ct400279d
first author openalex	Lee	Lee

Citations

OpenAlex: 42
Scholar: none
DOI: 10.1021/ct400279d
OpenAlex: W2016269072

Match decisions

doi merged · 1.00 · Run 18

2013 Small Molecular Modulation of Macrophage Migration Inhibitory Factor (MIF) in the Hyperoxia-Induced Mouse Model of Bronchopulmonary Dysplasia. Respiratory Research article journal CV OA GS

CV span

lines 1937–1942 · CV · published

1937370. Small Molecular Modulation of Macrophage Migration Inhibitory Factor (MIF) in the1938Hyperoxia-Induced Mouse Model of Bronchopulmonary Dysplasia.1939Sun, H.; Choo-Wing, R.; Fan, J.; Leng, L.; Syed, M. A.; Hare, A. A.; Jorgensen, W.1940L.; Bucala, R.; Bhandari, V.1941Respiratory Res.. 2013, 14: 27. doi: 10.1186/1465-9921-14-27 PMID:23448134;1942PMCID:PMC3637059

Institution fields

Peer reviewed: yes
First author: Sun
Co-authors: Sun, H.; Choo-Wing, R.; Fan, J.; Leng, L.; Syed, M. A.; Hare, A. A.; Jorgensen, W. L.; Bucala, R.; Bhandari, V.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Small Molecular Modulation of Macrophage Migration Inhibitory Factor (MIF) in the Hyperoxia-Induced Mouse Model of Bronchopulmonary Dysplasia.	Small molecular modulation of macrophage migration inhibitory factor in the hyperoxia-induced mouse model of bronchopulmonary dysplasia
year cv	2013	2013
venue crossref	Respiratory Res..	Respiratory Research	Respiratory Research
kind cv	article	article
DOI cv	10.1186/1465-9921-14-27	10.1186/1465-9921-14-27
first author openalex	Sun	Sun

Citations

OpenAlex: 49
Scholar: none
DOI: 10.1186/1465-9921-14-27
OpenAlex: W2164472305

Match decisions

doi merged · 1.00 · Run 18

2012 Challenges for Academic Drug Discovery. Angewandte Chemie International Edition article journal CV OA GS

CV span

lines 1900–1901 · CV · published

1900363. Challenges for Academic Drug Discovery.1901Jorgensen, W. L. Angew. Chem. Int. Ed. 2012, 51, 11680-11684. PMID: 23097176

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Challenges for Academic Drug Discovery.	Challenges for Academic Drug Discovery
year cv	2012	2012
venue crossref	Angew. Chem. Int. Ed.	Angewandte Chemie International Edition	Angewandte Chemie International Edition
kind cv	article	article
DOI crossref	10.1002/anie.201204625	10.1002/anie.201204625
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 60
Scholar: none
DOI: 10.1002/anie.201204625
OpenAlex: W2057185664

Match decisions

doi merged · 1.00 · Run 18

2012 Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1913–1918 · CV · published

1913366. Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal1914Key Interactions for Drug Design.1915Frey, K. M.; Bollini, M.; Mislak, A. C.; Cisneros, J. A.; Gallardo-Macias, R.;1916Jorgensen, W. L.; Anderson, K. A.1917J. Am. Chem. Soc. 2012, 134, 19501-19503. PMID:23163887; PMCID:1918PMC3518392.

Institution fields

Peer reviewed: yes
First author: Frey
Co-authors: Frey, K. M.; Bollini, M.; Mislak, A. C.; Cisneros, J. A.; Gallardo-Macias, R.; Jorgensen, W. L.; Anderson, K. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.	Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design
year cv	2012	2012
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja3092642	10.1021/ja3092642
first author openalex	Frey	Frey

Citations

OpenAlex: 54
Scholar: none
DOI: 10.1021/ja3092642
OpenAlex: W2118785491

Match decisions

doi merged · 1.00 · Run 18

2012 Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1879–1883 · CV · published

1879359. Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse1880transcriptase.1881Ekkati, A. R.; Bollini, M.; Domaoal, R. A.; Spasov, K. A.; Anderson, K. A.;1882Jorgensen, W. L.1883Bioorg. Med. Chem. Lett. 2012, 22, 1565-1568. PMCID: PMC3278212

Institution fields

Peer reviewed: yes
First author: Ekkati
Co-authors: Ekkati, A. R.; Bollini, M.; Domaoal, R. A.; Spasov, K. A.; Anderson, K. A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase.	Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase
year cv	2012	2012
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2011.12.132	10.1016/j.bmcl.2011.12.132
first author openalex	Ekkati	Ekkati

Citations

OpenAlex: 29
Scholar: none
DOI: 10.1016/j.bmcl.2011.12.132
OpenAlex: W1970720625

Match decisions

doi merged · 1.00 · Run 18

2012 Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction. Organic Letters article journal CV OA GS

CV span

lines 1869–1871 · CV · published

1869357. Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction.1870Kostal, J.; Voutchkova, A. M.; Jorgensen, W. L.1871Org. Lett. 2012, 14, 260-263. PMID: 22168236; PMCID: PMC3258499

Institution fields

Peer reviewed: yes
First author: Kostal
Co-authors: Kostal, J.; Voutchkova, A. M.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction.	Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction
year cv	2012	2011
venue crossref	Org. Lett.	Organic Letters	Organic Letters
kind cv	article	article
DOI crossref	10.1021/ol2030394	10.1021/ol2030394
first author openalex	Kostal	Kostal

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1021/ol2030394
OpenAlex: W2057906704

Match decisions

doi merged · 1.00 · Run 18

2012 Methyl Effects on Protein-Ligand Binding. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1896–1898 · CV · published

1896362. Methyl Effects on Protein-Ligand Binding.1897Leung, C. S.; Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.1898J. Med. Chem. 2012, 55, 4489-4500. PMCID: PMC3353327

Institution fields

Peer reviewed: yes
First author: Leung
Co-authors: Leung, C. S.; Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Methyl Effects on Protein-Ligand Binding.	Methyl Effects on Protein–Ligand Binding	Methyl effects on protein–ligand binding
year cv	2012	2012	2012
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm3003697	10.1021/jm3003697
first author openalex	Leung	Leung	Leung

Citations

OpenAlex: 408
Scholar: 460
DOI: 10.1021/jm3003697
OpenAlex: W2314067773

Match decisions

doi merged · 1.00 · Run 18

2012 Role of macrophage migration inhibitory factor in the regulatory T-cell response of tumor-bearing mice. The Journal of Immunology article journal CV OA GS

CV span

lines 1885–1889 · CV · published

1885360. Role of macrophage migration inhibitory factor in the regulatory T-cell response of1886tumor-bearing mice.1887Choi, S.; Kim, H.-R.; Leng, L.; Kang, I.; Jorgensen, W. L.; Cho, C.-S.; Bucala, R.;1888Kim, W.-U.1889J. Immunol. 2012, 189, 3905-3913. PMCID: PMC3466372

Institution fields

Peer reviewed: yes
First author: Choi
Co-authors: Choi, S.; Kim, H.-R.; Leng, L.; Kang, I.; Jorgensen, W. L.; Cho, C.-S.; Bucala, R.; Kim, W.-U.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Role of macrophage migration inhibitory factor in the regulatory T-cell response of tumor-bearing mice.	Role of Macrophage Migration Inhibitory Factor in the Regulatory T Cell Response of Tumor-Bearing Mice
year cv	2012	2012
venue crossref	J. Immunol.	The Journal of Immunology	The Journal of Immunology
kind cv	article	article
DOI crossref	10.4049/jimmunol.1102152	10.4049/jimmunol.1102152
first author openalex	Choi	Choi

Citations

OpenAlex: 66
Scholar: none
DOI: 10.4049/jimmunol.1102152
OpenAlex: W2126368530

Match decisions

doi merged · 1.00 · Run 18

2012 Small Molecule Inhibitors of the Interaction between the E3 Ligase VHL and HIF1α. Angewandte Chemie International Edition article journal CV OA GS

CV span

lines 1903–1906 · CV · published

1903364. Small Molecule Inhibitors of the Interaction between the E3 Ligase VHL and HIF1α.1904Buckley, D. L.; Gustafson, J. L.; Van Molle, I.; Roth, A. G.; Tae, H. S.; Gareiss, P.1905C.; Jorgensen, W. L.; Ciulli, A.; Crews, C. M.1906Angew. Chem. Int. Ed. 2012, 51, 11463-11467. PMID:23065727

Institution fields

Peer reviewed: yes
First author: Buckley
Co-authors: Buckley, D. L.; Gustafson, J. L.; Van Molle, I.; Roth, A. G.; Tae, H. S.; Gareiss, P. C.; Jorgensen, W. L.; Ciulli, A.; Crews, C. M.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Small Molecule Inhibitors of the Interaction between the E3 Ligase VHL and HIF1α.	Small‐Molecule Inhibitors of the Interaction between the E3 Ligase VHL and HIF1α	Small molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α
year cv	2012	2012	2012
venue crossref	Angew. Chem. Int. Ed.	Angewandte Chemie International Edition	Angewandte Chemie (International Ed. in English)	Angewandte Chemie International Edition
kind cv	article	article	other
DOI crossref	10.1002/anie.201206231	10.1002/anie.201206231
first author openalex	Buckley	Buckley	Buckley

Citations

OpenAlex: 288
Scholar: 420
DOI: 10.1002/anie.201206231
OpenAlex: W2003632864

Match decisions

doi merged · 1.00 · Run 18

2012 Targeting the von Hippel-Landau E3 Ubiquitin Ligase using Small Molecules to Disrupt the VHL/HIF-1α Interaction. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1873–1877 · CV · published

1873358. Targeting the von Hippel-Landau E3 Ubiquitin Ligase using Small Molecules to Disrupt1874the VHL/HIF-1α Interaction.1875Buckley, D. L.; Van Molle, I.; Gareiss, P. C.; Tae, H. S.; Michel, J.; Noblin, D. J.;1876Jorgensen, W. L.; Ciulli, A.; Crews, C. M.1877J. Am. Chem. Soc. 2012, 134, 4465-4468. PMID: 22369643

Institution fields

Peer reviewed: yes
First author: Buckley
Co-authors: Buckley, D. L.; Van Molle, I.; Gareiss, P. C.; Tae, H. S.; Michel, J.; Noblin, D. J.; Jorgensen, W. L.; Ciulli, A.; Crews, C. M.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Targeting the von Hippel-Landau E3 Ubiquitin Ligase using Small Molecules to Disrupt the VHL/HIF-1α Interaction.	Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1α Interaction	Targeting the von Hippel–Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1α interaction
year cv	2012	2012	2012
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja209924v	10.1021/ja209924v
first author openalex	Buckley	Buckley	Buckley

Citations

OpenAlex: 570
Scholar: 742
DOI: 10.1021/ja209924v
OpenAlex: W1994344724

Match decisions

doi merged · 1.00 · Run 18

2012 Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1891–1894 · CV · published

1891361. Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent1892Anti-HIV Agents.1893Jorgensen, W. L.; Schyman, P. J. Chem. Theory Comput. 2012, 8, 3895-3901.1894PMCID:PMC3544186

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Schyman, P.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents.	Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents	Treatment of halogen bonding in the OPLS-AA force field; application to potent anti-HIV agents
year cv	2012	2012	2012
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct300180w	10.1021/ct300180w
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 272
Scholar: 304
DOI: 10.1021/ct300180w
OpenAlex: W2063779505

Match decisions

doi merged · 1.00 · Run 18

2012 Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum MIF. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1908–1911 · CV · published

1908365. Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the1909Tautomerase Activity of Plasmodium falciparum MIF.1910Dahlgren, M. K.; Garcia, A. B.; Hare, A. A.; Tirado-Rives, J.; Leng, L.; Bucala, R.;1911Jorgensen, W. L. J. Med. Chem. 2012, 55, 10148-10159. PMID: 23067344

Institution fields

Peer reviewed: yes
First author: Dahlgren
Co-authors: Dahlgren, M. K.; Garcia, A. B.; Hare, A. A.; Tirado-Rives, J.; Leng, L.; Bucala, R.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum MIF.	Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum Macrophage Migration Inhibitory Factor
year cv	2012	2012
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm301269s	10.1021/jm301269s
first author openalex	Dahlgren	Dahlgren

Citations

OpenAlex: 33
Scholar: none
DOI: 10.1021/jm301269s
OpenAlex: W2002610019

Match decisions

doi merged · 1.00 · Run 18

2011 Aryl Extensions of Thienopyrimidinones as Fibroblast Growth Factor Receptor 1 Kinase Inhibitors. Tetrahedron Letters article journal CV OA GS

CV span

lines 1835–1839 · CV · published

1835351. Aryl Extensions of Thienopyrimidinones as Fibroblast Growth Factor Receptor 1 Kinase1836Inhibitors.1837Ekkati, A. R.; Mandiyan, V.; Ravindranathan, K. P.; Bae, J. H.; Schlessinger, J.;1838Jorgensen, W. L.1839Tetrahedron Lett. 2011, 52, 2228-2231. H. H. Wasserman 90th birthday issue.

Institution fields

Peer reviewed: yes
First author: Ekkati
Co-authors: Ekkati, A. R.; Mandiyan, V.; Ravindranathan, K. P.; Bae, J. H.; Schlessinger, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Aryl Extensions of Thienopyrimidinones as Fibroblast Growth Factor Receptor 1 Kinase Inhibitors.	Aryl extensions of thienopyrimidinones as fibroblast growth factor receptor 1 kinase inhibitors
year cv	2011	2010
venue crossref	Tetrahedron Lett.	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/j.tetlet.2010.12.081	10.1016/j.tetlet.2010.12.081
first author openalex	Ekkati	Ekkati

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1016/j.tetlet.2010.12.081
OpenAlex: W1964471253

Match decisions

doi merged · 1.00 · Run 18

2011 Benzisothiazolones as modulators of macrophage migration inhibitory factor. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1841–1844 · CV · published

1841352. Benzisothiazolones as modulators of macrophage migration inhibitory factor.1842Jorgensen, W. L.; Trofimov, A.; Leng, L.; Hare, A. A.; Du, X. ; Bucala, R.1843Bioorg. Med. Chem. Lett. 2011, 21, 4545-4549. PMID: 21719283; PMCID:1844PMC3139435

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Trofimov, A.; Leng, L.; Hare, A. A.; Du, X.; Bucala, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Benzisothiazolones as modulators of macrophage migration inhibitory factor.	Benzisothiazolones as modulators of macrophage migration inhibitory factor
year cv	2011	2011
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2011.05.127	10.1016/j.bmcl.2011.05.127
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/j.bmcl.2011.05.127
OpenAlex: W2022657131

Match decisions

doi merged · 1.00 · Run 18

2011 Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1857–1862 · CV · published

1857355. Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as1858Potent Anti-HIV Agents.1859Bollini, M.; Domaoal, R. A.; Thakur, V. V.; Gallardo-Macias, R.; Spasov, K. A.;1860Anderson, K. A.; Jorgensen, W. L.1861J. Med. Chem. 2011, 54, 8582-8591. PMCID:PMC32584981862News of the Week – C&E News, Dec. 5, 2011 – page 10.

Institution fields

Peer reviewed: yes
First author: Bollini
Co-authors: Bollini, M.; Domaoal, R. A.; Thakur, V. V.; Gallardo-Macias, R.; Spasov, K. A.; Anderson, K. A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents.	Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents	Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents
year cv	2011	2011	2011
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm201134m	10.1021/jm201134m
first author openalex	Bollini	Bollini	Bollini

Citations

OpenAlex: 122
Scholar: 150
DOI: 10.1021/jm201134m
OpenAlex: W2319057313

Match decisions

doi merged · 1.00 · Run 18

2011 Efficient Discovery of Potent Anti-HIV Agents Especially Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1846–1850 · CV · published

1846353. Efficient Discovery of Potent Anti-HIV Agents Especially Targeting the Tyr181Cys1847Variant of HIV Reverse Transcriptase.1848Jorgensen, W. L., Bollini, M.; Thakur, V. V.; Domaoal, R. A.; Spasov, K. A.;1849Anderson, K. A.1850J. Am. Chem. Soc. 2011, 133, 15686-15696. PMCID:PMC3183387

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Bollini, M.; Thakur, V. V.; Domaoal, R. A.; Spasov, K. A.; Anderson, K. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Efficient Discovery of Potent Anti-HIV Agents Especially Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase.	Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase	Efficient discovery of potent anti-HIV agents targeting the Tyr181Cys variant of HIV reverse transcriptase
year cv	2011	2011	2011
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja2058583	10.1021/ja2058583
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 65
Scholar: 91
DOI: 10.1021/ja2058583
OpenAlex: W2093278667

Match decisions

doi merged · 1.00 · Run 18

2011 Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1852–1855 · CV · published

1852354. Improving MM-GB/SA Scoring through the Application of the Variable Dielectric1853Model.1854Ravindranathan, K.; Tirado-Rives, J.; Jorgensen, W. L.; Guimarães, C. R. W.1855J. Chem. Theory Comput. 2011, 7, 3859-3866.

Institution fields

Peer reviewed: yes
First author: Ravindranathan
Co-authors: Ravindranathan, K.; Tirado-Rives, J.; Jorgensen, W. L.; Guimarães, C. R. W.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model.	Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model
year cv	2011	2011
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct200565u	10.1021/ct200565u
first author openalex	Ravindranathan	Ravindranathan

Citations

OpenAlex: 46
Scholar: none
DOI: 10.1021/ct200565u
OpenAlex: W2054935927

Match decisions

doi merged · 1.00 · Run 18

2011 On the Mechanism and Rate of Spontaneous Decomposition of Amino Acids. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1864–1867 · CV · published

1864356. On the Mechanism and Rate of Spontaneous Decomposition of Amino Acids.1865Alexandrova, A.; Jorgensen, W. L.1866J. Phys. Chem. B 2011, 115, 13624-13632. PMID: 21995727; PMCID:1867PMC3241013

Institution fields

Peer reviewed: yes
First author: Alexandrova
Co-authors: Alexandrova, A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	On the Mechanism and Rate of Spontaneous Decomposition of Amino Acids.	On the Mechanism and Rate of Spontaneous Decomposition of Amino Acids
year cv	2011	2011
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/jp2081808	10.1021/jp2081808
first author openalex	Alexandrova	Alexandrova

Citations

OpenAlex: 34
Scholar: none
DOI: 10.1021/jp2081808
OpenAlex: W2092229701

Match decisions

doi merged · 1.00 · Run 18

2011 Preparation of azole derivatives as MIF modulators PCT Int. Appl. other CV OA GS

CV span

lines 2433–2434 · CV · published

2433Preparation of azole derivatives as MIF modulators. Jorgensen, William L.; Bucala,2434Richard J. PCT Int. Appl. (2011), WO 2011140202 A2 20111110.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: Jorgensen, William L.; Bucala, Richard J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Preparation of azole derivatives as MIF modulators
year cv	2011
venue cv	PCT Int. Appl.
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2010 Advances in QM/MM Simulations for Organic and Enzymatic Reactions. Accounts of Chemical Research article journal CV OA GS

CV span

lines 1768–1770 · CV · published

1768337. Advances in QM/MM Simulations for Organic and Enzymatic Reactions.1769Acevedo, O.; Jorgensen, W. L.1770Acc. Chem. Res. 2010, 43, 142-151. PMID:19728702

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Advances in QM/MM Simulations for Organic and Enzymatic Reactions.	Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions	Advances in QM/MM simulations for organic and enzymatic reactions
year cv	2010	2009	2010
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	article	other
DOI crossref	10.1021/ar900171c	10.1021/ar900171c
first author openalex	Acevedo	Acevedo	Acevedo

Citations

OpenAlex: 262
Scholar: 307
DOI: 10.1021/ar900171c
OpenAlex: W2019893551

Match decisions

doi merged · 1.00 · Run 18

2010 A Remote Arene Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1796–1800 · CV · published

1796343. A Remote Arene Binding Site on Prostate Specific Membrane Antigen Revealed by1797Antibody-Recruiting Small Molecules.1798Zhang, A. X.; Murelli, R. P. ; Barinka, C. ; Michel, J.; Cocleaza, A.; Jorgensen, W.1799L.; Lubkowski, J.; Spiegel, D. A.1800J. Am. Chem. Soc. 2010, 132, 12711-12716. PMID:20726553

Institution fields

Peer reviewed: yes
First author: Zhang
Co-authors: Zhang, A. X.; Murelli, R. P.; Barinka, C.; Michel, J.; Cocleaza, A.; Jorgensen, W. L.; Lubkowski, J.; Spiegel, D. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Remote Arene Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.	A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules	A remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules
year cv	2010	2010	2010
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja104591m	10.1021/ja104591m
first author openalex	Zhang	Zhang	Zhang

Citations

OpenAlex: 165
Scholar: 242
DOI: 10.1021/ja104591m
OpenAlex: W1972701704

Match decisions

doi merged · 1.00 · Run 18

2010 Discovery of Novel FGFR1 Kinase Inhibitors by Structure-Based Virtual Screening. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1772–1775 · CV · published

1772338. Discovery of Novel FGFR1 Kinase Inhibitors by Structure-Based Virtual Screening.1773Ravindranathan, K. P.; Mandiyan, V.; Ekkati, A. R.; Bae, J. H.; Schlessinger, J.;1774Jorgensen, W. L.1775J. Med. Chem. 2010, 53, 1662-1672. PMID:20121196

Institution fields

Peer reviewed: yes
First author: Ravindranathan
Co-authors: Ravindranathan, K. P.; Mandiyan, V.; Ekkati, A. R.; Bae, J. H.; Schlessinger, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Discovery of Novel FGFR1 Kinase Inhibitors by Structure-Based Virtual Screening.	Discovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual Screening
year cv	2010	2010
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm901386e	10.1021/jm901386e
first author openalex	Ravindranathan	Ravindranathan

Citations

OpenAlex: 64
Scholar: none
DOI: 10.1021/jm901386e
OpenAlex: W2036579888

Match decisions

doi merged · 1.00 · Run 18

2010 Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1777–1781 · CV · published

1777339. Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase;1778cyano group alternatives.1779Leung, C. S.; Zeevaart, J. G.; Domaoal, R. A.; Bollini, M.; Thakur, V. V.; Spasov,1780K.; Anderson, K. S.; Jorgensen, W. L.1781Bioorg. Med. Chem. Lett. 2010, 20, 2485-2488. PMID:20304641

Institution fields

Peer reviewed: yes
First author: Leung
Co-authors: Leung, C. S.; Zeevaart, J. G.; Domaoal, R. A.; Bollini, M.; Thakur, V. V.; Spasov, K.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives.	Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives
year cv	2010	2010
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2010.03.006	10.1016/j.bmcl.2010.03.006
first author openalex	Leung	Leung

Citations

OpenAlex: 34
Scholar: none
DOI: 10.1016/j.bmcl.2010.03.006
OpenAlex: W1985510130

Match decisions

doi merged · 1.00 · Run 18

2010 Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1825–1828 · CV · published

1825349. Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase1826Inhibitors.1827Luccarelli, J.; Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.1828J. Chem. Theory Comput. 2010, 6, 3850-3856. PMID: 21278915

Institution fields

Peer reviewed: yes
First author: Luccarelli
Co-authors: Luccarelli, J.; Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors.	Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors	Effects of water placement on predictions of binding affinities for p38α MAP kinase inhibitors
year cv	2010	2010	2010
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct100504h	10.1021/ct100504h
first author openalex	Luccarelli	Luccarelli	Luccarelli

Citations

OpenAlex: 86
Scholar: 99
DOI: 10.1021/ct100504h
OpenAlex: W1968904047

Match decisions

doi merged · 1.00 · Run 18

2010 Exploring Solvent Effects on the Menshutkin Reaction using a Polarizable Force Field. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1788–1790 · CV · published

1788341. Exploring Solvent Effects on the Menshutkin Reaction using a Polarizable Force Field.1789Acevedo, O.; Jorgensen, W. L. J. Phys. Chem. B 2010, 114, 8425-8430. PMCID:1790PMC2903038

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Exploring Solvent Effects on the Menshutkin Reaction using a Polarizable Force Field.	Exploring Solvent Effects upon the Menshutkin Reaction Using a Polarizable Force Field
year cv	2010	2010
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/jp100765v	10.1021/jp100765v
first author openalex	Acevedo	Acevedo

Citations

OpenAlex: 61
Scholar: none
DOI: 10.1021/jp100765v
OpenAlex: W1999718752

Match decisions

doi merged · 1.00 · Run 18

2010 E/Z Energetics for Molecular Modeling and Design. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1811–1813 · CV · published

1811346. E/Z Energetics for Molecular Modeling and Design.1812Terhorst, J. P.; Jorgensen, W. L.1813J. Chem. Theory Comput. 2010, 6, 2762-2769. PMID:20871784

Institution fields

Peer reviewed: yes
First author: Terhorst
Co-authors: Terhorst, J. P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	E/Z Energetics for Molecular Modeling and Design.	E/Z Energetics for Molecular Modeling and Design
year cv	2010	2010
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct1004017	10.1021/ct1004017
first author openalex	Terhorst	Terhorst

Citations

OpenAlex: 33
Scholar: none
DOI: 10.1021/ct1004017
OpenAlex: W2030182790

Match decisions

doi merged · 1.00 · Run 18

2010 Limiting Cardiac Ischemic Injury by Augmenting the MIF-AMPK Signaling Cascade with a Novel Class of MIF Receptor Agonists. Circulation article journal CV OA GS

CV span

lines 1830–1833 · CV · published

1830350. Limiting Cardiac Ischemic Injury by Augmenting the MIF-AMPK1831Signaling Cascade with a Novel Class of MIF Receptor Agonists.1832Wang, J.; Yan,, X.; Yeung, E.; Gandavadi, S.; Hare, A. H.; Du, X.; Leng, L.;1833Jorgensen, W. L.; Li, J.; Bucala, R. Circulation 2010, 122: A15835.

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Wang, J.; Yan,, X.; Yeung, E.; Gandavadi, S.; Hare, A. H.; Du, X.; Leng, L.; Jorgensen, W. L.; Li, J.; Bucala, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Limiting Cardiac Ischemic Injury by Augmenting the MIF-AMPK Signaling Cascade with a Novel Class of MIF Receptor Agonists.	Abstract 15835: Limiting Cardiac Ischemic Injury by Augmenting the MIF-AMPK Signaling Cascade with a Novel Class of MIF Receptor Agonists
year cv	2010	2010
venue openalex	Circulation	Circulation
kind cv	article	other
first author openalex	Wang	Wang

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W1566829539

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Mif modulators US Patent App article CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Mif modulators
year scholar			2010
venue scholar			US Patent App.
kind scholar			other
first author scholar			Jorgensen

Citations

OpenAlex: none
Scholar: 98

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

2010 Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF). Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1802–1806 · CV · published

1802344. Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage1803migration inhibitory factor (MIF).1804Hare, A. A.; Leng, L.; Gandavadi, S.; Du, X.; Cournia, Z. ; Bucala, R. ; Jorgensen,1805W. L. Bioorg. Med. Chem. Lett. 2010, 20, 5811-5814. PMID:20728358; PMCID:1806PMC2939296

Institution fields

Peer reviewed: yes
First author: Hare
Co-authors: Hare, A. A.; Leng, L.; Gandavadi, S.; Du, X.; Cournia, Z.; Bucala, R.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF).	Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)	Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)
year cv	2010	2010	2010
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & medicinal chemistry letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article	other
DOI crossref	10.1016/j.bmcl.2010.07.129	10.1016/j.bmcl.2010.07.129
first author openalex	Hare	Hare	Hare

Citations

OpenAlex: 63
Scholar: 88
DOI: 10.1016/j.bmcl.2010.07.129
OpenAlex: W2085250880

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1016/j.bmcl.2010.07.129 and title on optimization of N-benzyl-benzoxazol-2-ones.

2010 Preparation of benzylbenzoxazolone derivatives and analogs for use as MIF modulators PCT Int. Appl. other CV OA GS needs review

CV span

lines 2429–2431 · CV · published

2429Preparation of benzylbenzoxazolone derivatives and analogs for use as MIF modulators.2430Jorgensen, William; Bucala, Richard J. PCT Int. Appl. (2010), 67 pp. CODEN: PIXXD22431WO 2010021693 A2 20100225 CAN 152:287368 AN 2010:235888

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: Jorgensen, William; Bucala, Richard J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Preparation of benzylbenzoxazolone derivatives and analogs for use as MIF modulators
year cv	2010
venue cv	PCT Int. Appl.
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

2010 Progress and Issues for Computationally-Guided Lead Discovery and Optimization. Drug Design chapter CV OA GS

CV span

lines 1763–1766 · CV · published

1763336. Progress and Issues for Computationally-Guided Lead Discovery and Optimization.1764Jorgensen, W. L. in “Drug Design: Structure and Ligand-Based Approaches”, Merz,1765K.; Reynolds, C.; Ringe, D., Eds.; Cambridge Univ. Press, Cambridge, UK, 2010.1766ISBN 9780521887236

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Cambridge Univ. Press
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Progress and Issues for Computationally-Guided Lead Discovery and Optimization.	Progress and issues for computationally guided lead discovery and optimization
year cv	2010	2010
venue crossref	Drug Design: Structure and Ligand-Based Approaches	Cambridge University Press eBooks	Drug Design
kind cv	chapter	chapter
DOI crossref	10.1017/cbo9780511730412.003	10.1017/cbo9780511730412.003
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 4
Scholar: none
DOI: 10.1017/cbo9780511730412.003
OpenAlex: W1783482130

Match decisions

doi merged · 1.00 · Run 18

2010 Pulled from a protein’s embrace. Nature article journal CV OA GS

CV span

lines 1808–1809 · CV · published

1808345. Pulled from a protein’s embrace.1809Jorgensen, W. L. Nature 2010, 466, 42-43. PMID:20596009

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Pulled from a protein’s embrace.	Pulled from a protein's embrace
year cv	2010	2010
venue crossref	Nature	Nature
kind cv	article	article
DOI crossref	10.1038/466042a	10.1038/466042a
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 52
Scholar: none
DOI: 10.1038/466042a
OpenAlex: W2040012266

Match decisions

doi merged · 1.00 · Run 18

2010 QM/MM Modeling Finds Diels-Alder Reactions are Accelerated Less On Water than In Water. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1783–1786 · CV · published

1783340. QM/MM Modeling Finds Diels-Alder Reactions are Accelerated Less On Water than1784In Water.1785Thomas, L.; Tirado-Rives, J.; Jorgensen, W. L.1786J. Am. Chem. Soc. 2010, 132, 3097-3104. PMID:20148559

Institution fields

Peer reviewed: yes
First author: Thomas
Co-authors: Thomas, L.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	QM/MM Modeling Finds Diels-Alder Reactions are Accelerated Less On Water than In Water.	Quantum Mechanical/Molecular Mechanical Modeling Finds Diels−Alder Reactions Are Accelerated Less on the Surface of Water Than in Water
year cv	2010	2010
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja909740y	10.1021/ja909740y
first author openalex	Thomas	Thomas

Citations

OpenAlex: 65
Scholar: none
DOI: 10.1021/ja909740y
OpenAlex: W306416121

Match decisions

doi merged · 1.00 · Run 18

2010 Receptor agonists of macrophage migration inhibitory factor. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1820–1823 · CV · published

1820348. Receptor agonists of macrophage migration inhibitory factor.1821Jorgensen, W. L.; Gandavadi, S.; Du, X.; Hare, A. A.; Trofimov, A.; Leng, L.;1822Bucala, R. Bioorg. Med. Chem. Lett. 2010, 20, 7033-7036. PMID:20971005;1823PMCID: PMC2989669

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Gandavadi, S.; Du, X.; Hare, A. A.; Trofimov, A.; Leng, L.; Bucala, R.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Receptor agonists of macrophage migration inhibitory factor.	Receptor agonists of macrophage migration inhibitory factor
year cv	2010	2010
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2010.09.118	10.1016/j.bmcl.2010.09.118
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 50
Scholar: none
DOI: 10.1016/j.bmcl.2010.09.118
OpenAlex: W2075894073

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1016/j.bmcl.2010.07.129 and title on optimization of N-benzyl-benzoxazol-2-ones.

2010 Synthesis and Evaluation of Selected Key Methyl Ether Derivatives of Vancomycin Aglycon. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1815–1818 · CV · published

1815347. Synthesis and Evaluation of Selected Key Methyl Ether Derivatives of Vancomycin1816Aglycon.1817Crane, C. M.; Pierce, J. G.; Leung, S. S. F. ; Tirado-Rives, J. ; Jorgensen, W. L. ;1818Boger, D. L. J. Med. Chem. 2010, 53, 7229-7235. PMID:20853900

Institution fields

Peer reviewed: yes
First author: Crane
Co-authors: Crane, C. M.; Pierce, J. G.; Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.; Boger, D. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Synthesis and Evaluation of Selected Key Methyl Ether Derivatives of Vancomycin Aglycon.	Synthesis and Evaluation of Selected Key Methyl Ether Derivatives of Vancomycin Aglycon
year cv	2010	2010
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm100946e	10.1021/jm100946e
first author openalex	Crane	Crane

Citations

OpenAlex: 23
Scholar: none
DOI: 10.1021/jm100946e
OpenAlex: W1977612194

Match decisions

doi merged · 1.00 · Run 18

2010 Thorpe-Ingold Acceleration of Oxirane Formation is Mostly a Solvent Effect. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1792–1794 · CV · published

1792342. Thorpe-Ingold Acceleration of Oxirane Formation is Mostly a Solvent Effect.1793Kostal, J.; Jorgensen, W. L.1794J. Am. Chem. Soc. 2010, 132, 8766-8773. PMID:20524660

Institution fields

Peer reviewed: yes
First author: Kostal
Co-authors: Kostal, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Thorpe-Ingold Acceleration of Oxirane Formation is Mostly a Solvent Effect.	Thorpe−Ingold Acceleration of Oxirane Formation Is Mostly a Solvent Effect
year cv	2010	2010
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja1023755	10.1021/ja1023755
first author openalex	Kostal	Kostal

Citations

OpenAlex: 35
Scholar: none
DOI: 10.1021/ja1023755
OpenAlex: W2048519421

Match decisions

doi merged · 1.00 · Run 18

2009 Chemical Control Over Immune Recognition: A Class of Antibody-Recruiting Small Molecules (ARMs) that Target Prostate Cancer. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1758–1761 · CV · published

1758335. Chemical Control Over Immune Recognition: A Class of Antibody-Recruiting Small1759Molecules (ARMs) that Target Prostate Cancer.1760Murelli, R. P.; Zhang, A. X.; Michel, J.; Jorgensen, W. L., Spiegel, D. A.1761J. Am. Chem. Soc. 2009, 131, 17090-17092. PMID:19888723

Institution fields

Peer reviewed: yes
First author: Murelli
Co-authors: Murelli, R. P.; Zhang, A. X.; Michel, J.; Jorgensen, W. L., Spiegel, D. A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Chemical Control Over Immune Recognition: A Class of Antibody-Recruiting Small Molecules (ARMs) that Target Prostate Cancer.	Chemical Control over Immune Recognition: A Class of Antibody-Recruiting Small Molecules That Target Prostate Cancer	Chemical control over immune recognition: A class of antibody-recruiting small molecules (ARMs) that target prostate cancer
year cv	2009	2009	2009
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja906844e	10.1021/ja906844e
first author openalex	Murelli	Murelli	Murelli

Citations

OpenAlex: 132
Scholar: 179
DOI: 10.1021/ja906844e
OpenAlex: W1974216005

Match decisions

doi merged · 1.00 · Run 18

2009 Discovery of Human Macrophage Migration Inhibitory Factor (MIF)-CD74 Antagonists via Virtual Screening. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1709–1713 · CV · published

1709325. Discovery of Human Macrophage Migration Inhibitory Factor (MIF)-CD74 Antagonists1710via Virtual Screening.1711Cournia, Z.; Leng, L.; Gandavadi, S.; Du, X.; Bucala, R.; Jorgensen, W. L.1712J. Med. Chem. 2009, 52, 416-424. PMID:190906681713

Institution fields

Peer reviewed: yes
First author: Cournia
Co-authors: Cournia, Z.; Leng, L.; Gandavadi, S.; Du, X.; Bucala, R.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Discovery of Human Macrophage Migration Inhibitory Factor (MIF)-CD74 Antagonists via Virtual Screening.	Discovery of Human Macrophage Migration Inhibitory Factor (MIF)-CD74 Antagonists via Virtual Screening	Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening
year cv	2009	2008	2009
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm801100v	10.1021/jm801100v
first author openalex	Cournia	Cournia	Cournia

Citations

OpenAlex: 130
Scholar: 161
DOI: 10.1021/jm801100v
OpenAlex: W2051137913

Match decisions

doi merged · 1.00 · Run 18

2009 Discovery of Wild-type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 1728–1732 · CV · published

1728329. Discovery of Wild-type and Y181C Mutant Non-nucleoside HIV-1 Reverse1729Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures.1730Nichols, S. E.; Domaoal, R. A.; Thakur, V. V.; Bailey, C. M.; Wang, L.;1731Tirado-Rives, J.; Anderson, K. S.; Jorgensen, W. L.1732J. Chem. Inf. Model. 2009, 49, 1272-1279. PMID:19374380

Institution fields

Peer reviewed: yes
First author: Nichols
Co-authors: Nichols, S. E.; Domaoal, R. A.; Thakur, V. V.; Bailey, C. M.; Wang, L.; Tirado-Rives, J.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Discovery of Wild-type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures.	Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures
year cv	2009	2009
venue crossref	J. Chem. Inf. Model.	Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling
kind cv	article	article
DOI crossref	10.1021/ci900068k	10.1021/ci900068k
first author openalex	Nichols	Nichols

Citations

OpenAlex: 38
Scholar: none
DOI: 10.1021/ci900068k
OpenAlex: W1974336924

Match decisions

doi merged · 1.00 · Run 18

2009 Efficient Drug Lead Discovery and Optimization. Accounts of Chemical Research article journal CV OA GS needs review

CV span

lines 1720–1721 · CV · published

1720327. Efficient Drug Lead Discovery and Optimization.1721Jorgensen, W. L. Acc. Chem. Res. 2009, 42, 724-733. PMCID:PMC2727934

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Efficient Drug Lead Discovery and Optimization.	Efficient Drug Lead Discovery and Optimization	Efficient drug lead discovery and optimization
year cv	2009	2009	2009
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	article	other
DOI crossref	10.1021/ar800236t	10.1021/ar800236t
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 659
Scholar: 880
DOI: 10.1021/ar800236t
OpenAlex: W2025006523

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ar800236t and title on efficient drug lead discovery and optimization.
doi merged · 1.00 · Run 18

2009 Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1753–1756 · CV · published

1753334. Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences1754for Ligand Optimization.1755Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.1756J. Am. Chem. Soc. 2009, 131, 15403-15411. PMID:19778066

Institution fields

Peer reviewed: yes
First author: Michel
Co-authors: Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization.	Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization	Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization
year cv	2009	2009	2009
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja906058w	10.1021/ja906058w
first author openalex	Michel	Michel	Michel

Citations

OpenAlex: 267
Scholar: 310
DOI: 10.1021/ja906058w
OpenAlex: W1998948060

Match decisions

doi merged · 1.00 · Run 18

2009 Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. ACS Chemical Biology article journal CV OA GS

CV span

lines 1698–1702 · CV · published

1698323. Exploiting structural analysis, in silico screening, and serendipity to identify novel1699inhibitors of drug-resistant falciparum malaria.1700Dasgupta, T.; Chitnumsub, P.; Maneeruttanarungroj, C.; Kamchonwongpaisan, S.;1701Nichols, S. N.; Lyons, T. M.; Tirado-Rives, J.; Jorgensen, W. L.; Yuthavong, Y.;1702Anderson, K. S. ACS Chem. Biol. 2009, 4, 29-40. PMID:19146480

Institution fields

Peer reviewed: yes
First author: Dasgupta
Co-authors: Dasgupta, T.; Chitnumsub, P.; Maneeruttanarungroj, C.; Kamchonwongpaisan, S.; Nichols, S. N.; Lyons, T. M.; Tirado-Rives, J.; Jorgensen, W. L.; Yuthavong, Y.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.	Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria
year cv	2009	2009
venue crossref	ACS Chem. Biol.	ACS Chemical Biology	ACS Chemical Biology
kind cv	article	article
DOI crossref	10.1021/cb8002804	10.1021/cb8002804
first author openalex	Dasgupta	Dasgupta

Citations

OpenAlex: 62
Scholar: none
DOI: 10.1021/cb8002804
OpenAlex: W2011374898

Match decisions

doi merged · 1.00 · Run 18

2009 In silico improvement of β3-peptide inhibitors of p53•hDM2 and p53•hDMX. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1734–1736 · CV · published

1734330. In silico improvement of β3-peptide inhibitors of p53•hDM2 and p53•hDMX.1735Michel, J.; Harker, E.A.; Tirado-Rives, J.; Jorgensen, W. L.; Schepartz, A.1736J. Am. Chem. Soc. 2009, 131, 6356-6357. PMID:19415930

Institution fields

Peer reviewed: yes
First author: Michel
Co-authors: Michel, J.; Harker, E.A.; Tirado-Rives, J.; Jorgensen, W. L.; Schepartz, A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	In silico improvement of β3-peptide inhibitors of p53•hDM2 and p53•hDMX.	In Silico Improvement of β3-Peptide Inhibitors of p53•hDM2 and p53•hDMX
year cv	2009	2009
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja901478e	10.1021/ja901478e
first author openalex	Michel	Michel

Citations

OpenAlex: 68
Scholar: none
DOI: 10.1021/ja901478e
OpenAlex: W2038296606

Match decisions

doi merged · 1.00 · Run 18

2009 Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs) in antiviral therapy (HIV) PCT Int. Appl. other CV OA GS

CV span

lines 2424–2427 · CV · published

2424Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors2425(NNRTIs) in antiviral therapy (HIV). Jorgensen, William L. PCT Int. Appl. (2009),242668pp. CODEN: PIXXD2 WO 2009005811 A1 20090108 CAN 150:114237 AN24272009:20165

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs) in antiviral therapy (HIV)
year cv	2009
venue cv	PCT Int. Appl.
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2009 Novel Non-Active Site Inhibitor of Cryptosporidium hominis TS-DHFR Identified by a Virtual Screen. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1714–1718 · CV · published

1714326. Novel Non-Active Site Inhibitor of Cryptosporidium hominis TS-DHFR Identified by a1715Virtual Screen.1716Martucci, W. E.; Udier-Blagovic, M.; Atreya, C.; Babatunde, O.; Vargo, M. A.;1717Jorgensen, W. L.; Anderson, K. S. Bioorg. Med. Chem. Lett. 2009, 19, 418-423.1718PMID:19059777

Institution fields

Peer reviewed: yes
First author: Martucci
Co-authors: Martucci, W. E.; Udier-Blagovic, M.; Atreya, C.; Babatunde, O.; Vargo, M. A.; Jorgensen, W. L.; Anderson, K. S.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Novel Non-Active Site Inhibitor of Cryptosporidium hominis TS-DHFR Identified by a Virtual Screen.	Novel non-active site inhibitor of Cryptosporidium hominis TS-DHFR identified by a virtual screen
year cv	2009	2008
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2008.11.054	10.1016/j.bmcl.2008.11.054
first author openalex	Martucci	Martucci

Citations

OpenAlex: 19
Scholar: none
DOI: 10.1016/j.bmcl.2008.11.054
OpenAlex: W2152979520

Match decisions

doi merged · 1.00 · Run 18

2009 Origin of the Activity Drop with the E50D Variant of Catalytic Antibody 34E4 for Kemp Elimination. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1704–1707 · CV · published

1704324. Origin of the Activity Drop with the E50D Variant of Catalytic Antibody 34E4 for1705Kemp Elimination.1706Alexandrova, A.; Jorgensen, W. L. J. Phys. Chem. B 2009, 113, 497-504.1707PMID:19132861

Institution fields

Peer reviewed: yes
First author: Alexandrova
Co-authors: Alexandrova, A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Origin of the Activity Drop with the E50D Variant of Catalytic Antibody 34E4 for Kemp Elimination.	Origin of the Activity Drop with the E50D Variant of Catalytic Antibody 34E4 for Kemp Elimination
year cv	2009	2008
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/jp8076084	10.1021/jp8076084
first author openalex	Alexandrova	Alexandrova

Citations

OpenAlex: 22
Scholar: none
DOI: 10.1021/jp8076084
OpenAlex: W2108766711

Match decisions

doi merged · 1.00 · Run 18

2009 Prediction of the Water Content in Protein Binding Sites. The Journal of Physical Chemistry B article journal CV OA GS needs review

CV span

lines 1743–1746 · CV · published

1743332. Prediction of the Water Content in Protein Binding Sites.1744Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.1745J. Phys. Chem. B 2009, 113, 13337-13346. PMID:197540861746Received the Emerging Technology Award at the August 2009 Nat’l ACS Meeting.

Institution fields

Peer reviewed: yes
First author: Michel
Co-authors: Michel, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of the Water Content in Protein Binding Sites.	Prediction of the Water Content in Protein Binding Sites	Prediction of the water content in protein binding sites
year cv	2009	2009	2009
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp9047456	10.1021/jp9047456
first author openalex	Michel	Michel	Michel

Citations

OpenAlex: 188
Scholar: 248
DOI: 10.1021/jp9047456
OpenAlex: W2005647584

Match decisions

passthrough_guard not merged · 1.00 · same_source · Run 18 All records share the same DOI 10.1021/jp9047456 and title referring to prediction of water content in protein binding sites.
doi merged · 1.00 · Run 18

2009 Steric and Solvation Effects in Ionic SN2 Reactions. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1748–1751 · CV · published

1748333. Steric and Solvation Effects in Ionic SN2 Reactions.1749Chen, X.; Regan, C. K.; Craig, S. L.; Krenske, E. H.; Houk, K. N.; Jorgensen, W. L.;1750Brauman, J. I.1751J. Am. Chem. Soc. 2009, 131, 16162-16170. doi 10.1021/ja9053459

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: Chen, X.; Regan, C. K.; Craig, S. L.; Krenske, E. H.; Houk, K. N.; Jorgensen, W. L.; Brauman, J. I.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Steric and Solvation Effects in Ionic SN2 Reactions.	Steric and Solvation Effects in Ionic S N 2 Reactions
year cv	2009	2009
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI cv	10.1021/ja9053459	10.1021/ja9053459
first author openalex	Chen	Chen

Citations

OpenAlex: 76
Scholar: none
DOI: 10.1021/ja9053459
OpenAlex: W1997122475

Match decisions

doi merged · 1.00 · Run 18

2009 Vancomycin Analogs: Seeking Improved Binding of D-Ala-D-Ala and D-Ala-D-Lac Peptides by Side-Chain and Backbone Modifications. Bioorganic & Medicinal Chemistry article journal CV OA GS

CV span

lines 1738–1741 · CV · published

1738331. Vancomycin Analogs: Seeking Improved Binding of D-Ala-D-Ala and D-Ala-D-Lac1739Peptides by Side-Chain and Backbone Modifications.1740Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.1741Bioorg. Med. Chem. 2009, 17, 5874-5886. PMID:19620008

Institution fields

Peer reviewed: yes
First author: Leung
Co-authors: Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Vancomycin Analogs: Seeking Improved Binding of D-Ala-D-Ala and D-Ala-D-Lac Peptides by Side-Chain and Backbone Modifications.	Vancomycin analogs: Seeking improved binding of d-Ala-d-Ala and d-Ala-d-Lac peptides by side-chain and backbone modifications
year cv	2009	2009
venue crossref	Bioorg. Med. Chem.	Bioorganic & Medicinal Chemistry	Bioorganic & Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1016/j.bmc.2009.07.006	10.1016/j.bmc.2009.07.006
first author openalex	Leung	Leung

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1016/j.bmc.2009.07.006
OpenAlex: W2026515096

Match decisions

doi merged · 1.00 · Run 18

2009 Vancomycin Resistance: Modeling Backbone Variants with D-Ala-D-Ala and D-Ala-D-Lac Peptides. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1723–1726 · CV · published

1723328. Vancomycin Resistance: Modeling Backbone Variants with D-Ala-D-Ala and D-Ala-D-1724Lac Peptides.1725Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.1726Bioorg. Med. Chem. Lett. 2009, 19, 1236-1239. PMID:19128968

Institution fields

Peer reviewed: yes
First author: Leung
Co-authors: Leung, S. S. F.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Vancomycin Resistance: Modeling Backbone Variants with D-Ala-D-Ala and D-Ala-D-Lac Peptides.	Vancomycin resistance: Modeling backbone variants with d-Ala-d-Ala and d-Ala-d-Lac peptides
year cv	2009	2008
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2008.12.072	10.1016/j.bmcl.2008.12.072
first author openalex	Leung	Leung

Citations

OpenAlex: 13
Scholar: none
DOI: 10.1016/j.bmcl.2008.12.072
OpenAlex: W2063186448

Match decisions

doi merged · 1.00 · Run 18

2008 Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1693–1696 · CV · published

1693322. Catalytic Mechanism and Performance of Computationally Designed Enzymes for1694Kemp Elimination.1695Alexandrova, A.; Röthlisberger, D.; Baker, D.; Jorgensen, W. L. J. Am. Chem. Soc.16962008, 130, 15907-15915. PMID:18975945

Institution fields

Peer reviewed: yes
First author: Alexandrova
Co-authors: Alexandrova, A.; Röthlisberger, D.; Baker, D.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination.	Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination	Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination
year cv	2008	2008	2008
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja804040s	10.1021/ja804040s
first author openalex	Alexandrova	Alexandrova	Alexandrova

Citations

OpenAlex: 104
Scholar: 118
DOI: 10.1021/ja804040s
OpenAlex: W2090826418

Match decisions

doi merged · 1.00 · Run 18

2008 Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1678–1682 · CV · published

1678319. Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of1679residues L100, V106, and Y181 in the presence of nevirapine and efavirenz.1680Smith, M. B. K.; Rader, L. H.; Franklin, A. M.; Taylor, E. V.; Smith, K. D.: Smith,1681R. H.; Tirado-Rives, J.; Jorgensen, W. L.1682Bioorg. Med. Chem. Lett. 2008, 18, 969-972. PMID:18166457

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: Smith, M. B. K.; Rader, L. H.; Franklin, A. M.; Taylor, E. V.; Smith, K. D.: Smith, R. H.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz.	Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz
year cv	2008	2007
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2007.12.033	10.1016/j.bmcl.2007.12.033
first author openalex	Smith	Smith

Citations

OpenAlex: 6
Scholar: none
DOI: 10.1016/j.bmcl.2007.12.033
OpenAlex: W1990094841

Match decisions

doi merged · 1.00 · Run 18

2008 Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1668–1671 · CV · published

1668317. Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene.1669Wiberg, K. B.; Wang, Y. G.; Wilson, S. M.; Vaccaro, P. H.; Jorgensen, W. L.;1670Crawford, T. D.; Abrams, M. L.; Cheeseman, J. R.; Luderer, M.1671J. Phys. Chem. A 2008, 112, 2415-2422.

Institution fields

Peer reviewed: yes
First author: Wiberg
Co-authors: Wiberg, K. B.; Wang, Y. G.; Wilson, S. M.; Vaccaro, P. H.; Jorgensen, W. L.; Crawford, T. D.; Abrams, M. L.; Cheeseman, J. R.; Luderer, M.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene.	Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene
year cv	2008	2008
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article
DOI crossref	10.1021/jp076572o	10.1021/jp076572o
first author openalex	Wiberg	Wiberg

Citations

OpenAlex: 46
Scholar: none
DOI: 10.1021/jp076572o
OpenAlex: W2057382516

Match decisions

doi merged · 1.00 · Run 18

2008 Optimization of Azoles as Anti-HIV Agents Guided by Free-Energy Calculations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1688–1691 · CV · published

1688321. Optimization of Azoles as Anti-HIV Agents Guided by Free-Energy Calculations.1689Zeevaart, J. G.; Wang, L.; Thakur, V. V.; Leung, C. S.; Tirado-Rives, J.; Bailey, C.1690M.; Domaoal, R. A.; Anderson, K. S.; Jorgensen, W. L.1691J. Am. Chem. Soc. 2008, 130, 9492-9499. PMID:18588301

Institution fields

Peer reviewed: yes
First author: Zeevaart
Co-authors: Zeevaart, J. G.; Wang, L.; Thakur, V. V.; Leung, C. S.; Tirado-Rives, J.; Bailey, C. M.; Domaoal, R. A.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimization of Azoles as Anti-HIV Agents Guided by Free-Energy Calculations.	Optimization of Azoles as Anti-Human Immunodeficiency Virus Agents Guided by Free-Energy Calculations	Optimization of azoles as anti-human immunodeficiency virus agents guided by free-energy calculations
year cv	2008	2008	2008
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja8019214	10.1021/ja8019214
first author openalex	Zeevaart	Zeevaart	Zeevaart

Citations

OpenAlex: 95
Scholar: 111
DOI: 10.1021/ja8019214
OpenAlex: W2056516302

Match decisions

doi merged · 1.00 · Run 18

2008 Performance of the B3LYP Density Functional Method for a Large Set of Organic Molecules. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1673–1676 · CV · published

1673318. Performance of the B3LYP Density Functional Method for a Large Set of Organic1674Molecules.1675Tirado-Rives, J.; Jorgensen, W. L.1676J. Chem. Theory Comput. 2008, 4, 297-306.

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Performance of the B3LYP Density Functional Method for a Large Set of Organic Molecules.	Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules	Performance of B3LYP density functional methods for a large set of organic molecules
year cv	2008	2008	2008
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct700248k	10.1021/ct700248k
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 1736
Scholar: 2060
DOI: 10.1021/ct700248k
OpenAlex: W2031596719

Match decisions

doi merged · 1.00 · Run 18

2008 Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1684–1686 · CV · published

1684320. Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria.1685Jorgensen, W. L.; Thomas, L. L.1686J. Chem. Theory Comput. 2008, 4, 869-876. PMID:19936324

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Thomas, L. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria.	Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria	Perspective on free-energy perturbation calculations for chemical equilibria
year cv	2008	2008	2008
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct800011m	10.1021/ct800011m
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 373
Scholar: 418
DOI: 10.1021/ct800011m
OpenAlex: W2028841370

Match decisions

doi merged · 1.00 · Run 18

2007 Aniline derivatives as antiviral and anticancer agents, their preparation, pharmaceutical compositions, and use in therapy PCT Int. Appl. other CV OA GS

CV span

lines 2398–2401 · CV · published

2398Aniline derivatives as antiviral and anticancer agents, their preparation, pharmaceutical2399compositions, and use in therapy.2400Jorgensen, William L.; Ruiz-Caro, Juliana; Hamilton, Andrew D. PCT Int. Appl. (2007), 932401pp. CODEN: PIXXD2 WO 2007038387 A2 20070405 CAN 146:401679 AN 2007:385257

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: Jorgensen, William L.; Ruiz-Caro, Juliana; Hamilton, Andrew D.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Aniline derivatives as antiviral and anticancer agents, their preparation, pharmaceutical compositions, and use in therapy
year cv	2007
venue cv	PCT Int. Appl.
kind cv	other
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2007 Computation of Accurate Activation Barriers for Methyl Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1637–1640 · CV · published

1637311. Computation of Accurate Activation Barriers for Methyl Transfer Reactions of1638Sulfonium and Ammonium Salts in Aqueous Solution.1639Gunaydin, H.; Acevedo, O.; Jorgensen, W. L.; Houk, K. N.1640J. Chem. Theory Comput. 2007, 3, 1028-1035.

Institution fields

Peer reviewed: yes
First author: Gunaydin
Co-authors: Gunaydin, H.; Acevedo, O.; Jorgensen, W. L.; Houk, K. N.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computation of Accurate Activation Barriers for Methyl Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution.	Computation of Accurate Activation Barriers for Methyl-Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution
year cv	2007	2007
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct050318n	10.1021/ct050318n
first author openalex	Gunaydin	Günaydin

Citations

OpenAlex: 33
Scholar: none
DOI: 10.1021/ct050318n
OpenAlex: W1968072031

Match decisions

doi merged · 1.00 · Run 18

2007 Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from QM/MM Simulations. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1642–1645 · CV · published

1642312. Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from1643QM/MM Simulations.1644Acevedo, O.; Jorgensen, W. L.; Evanseck, J. D.1645J. Chem. Theory Comput. 2007, 3, 132-138.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.; Evanseck, J. D.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from QM/MM Simulations.	Elucidation of Rate Variations for a Diels−Alder Reaction in Ionic Liquids from QM/MM Simulations	Elucidation of rate variations for a Diels− Alder reaction in ionic liquids from QM/MM simulations
year cv	2007	2006	2007
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct6002753	10.1021/ct6002753
first author openalex	Acevedo	Acevedo	Acevedo

Citations

OpenAlex: 78
Scholar: 98
DOI: 10.1021/ct6002753
OpenAlex: W2034500374

Match decisions

doi merged · 1.00 · Run 18

2007 From Docking False-Positive to Active Anti-HIV Agent. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1652–1655 · CV · published

1652314. From Docking False-Positive to Active Anti-HIV Agent.1653Barreiro, G.; Kim, J. T.; Guimaraes, C. R. W.; Bailey, C. M.; Domaoal, R. A.;1654Wang, L.; Anderson, K. S..; Jorgensen, W. L.1655J. Med. Chem. 2007, 50, 5324-5329. PMID:17918923

Institution fields

Peer reviewed: yes
First author: Barreiro
Co-authors: Barreiro, G.; Kim, J. T.; Guimaraes, C. R. W.; Bailey, C. M.; Domaoal, R. A.; Wang, L.; Anderson, K. S..; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	From Docking False-Positive to Active Anti-HIV Agent.	From Docking False-Positive to Active Anti-HIV Agent
year cv	2007	2007
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm070683u	10.1021/jm070683u
first author openalex	Barreiro	Barreiro

Citations

OpenAlex: 66
Scholar: none
DOI: 10.1021/jm070683u
OpenAlex: W2029058787

Match decisions

doi merged · 1.00 · Run 18

2007 Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1657–1660 · CV · published

1657315. Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with1658Water and Chloride Ion.1659Jorgensen, W. L.; Jensen, K. P.; Alexandrova, A.1660J. Chem. Theory Comput. 2007, 3, 1987-1992.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Jensen, K. P.; Alexandrova, A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion.	Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion	Polarization effects for hydrogen-bonded complexes of substituted phenols with water and chloride ion
year cv	2007	2007	2007
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct7001754	10.1021/ct7001754
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 84
Scholar: 108
DOI: 10.1021/ct7001754
OpenAlex: W1968823226

Match decisions

doi merged · 1.00 · Run 18

2007 Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 1662–1666 · CV · published

1662316. Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase using Chemical1663Similarity, Molecular Docking, and MM-GB/SA Scoring.1664Barreiro, G.; Guimaraes, C. R. W.; Tubert-Brohman, I.; Lyons, T. M.; Tirado-Rives,1665J.; Jorgensen, W. L.1666J. Chem. Inf. Model. 2007, 47, 2416-2428. PMID:17949071

Institution fields

Peer reviewed: yes
First author: Barreiro
Co-authors: Barreiro, G.; Guimaraes, C. R. W.; Tubert-Brohman, I.; Lyons, T. M.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring.	Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring	Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring
year cv	2007	2007	2007
venue crossref	J. Chem. Inf. Model.	Journal of Chemical Information and Modeling	Journal of chemical information and modeling	Journal of Chemical Information and Modeling
kind cv	article	article	other
DOI crossref	10.1021/ci700271z	10.1021/ci700271z
first author openalex	Barreiro	Barreiro	Barreiro

Citations

OpenAlex: 87
Scholar: 104
DOI: 10.1021/ci700271z
OpenAlex: W2021377028

Match decisions

doi merged · 1.00 · Run 18

2007 Special issue on polarization Journal of chemical theory and computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Special issue on polarization
year scholar			2007
venue scholar			Journal of chemical theory and computation
kind scholar			other
first author scholar			Jorgensen

Citations

OpenAlex: none
Scholar: 146

Match decisions

No decision recorded; a single record.

2007 Understanding Rate Accelerations for Diels-Alder Reactions in Solution using Enhanced QM/MM Methodology. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1647–1650 · CV · published

1647313. Understanding Rate Accelerations for Diels-Alder Reactions in Solution using Enhanced1648QM/MM Methodology.1649Acevedo, O.; Jorgensen, W. L.1650J. Chem. Theory Comput. 2007, 3, 1412-1419.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Understanding Rate Accelerations for Diels-Alder Reactions in Solution using Enhanced QM/MM Methodology.	Understanding Rate Accelerations for Diels−Alder Reactions in Solution Using Enhanced QM/MM Methodology	Understanding rate accelerations for Diels− Alder reactions in solution using enhanced QM/MM methodology
year cv	2007	2007	2007
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct700078b	10.1021/ct700078b
first author openalex	Acevedo	Acevedo	Acevedo

Citations

OpenAlex: 94
Scholar: 106
DOI: 10.1021/ct700078b
OpenAlex: W2026054984

Match decisions

doi merged · 1.00 · Run 18

2007 Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1634–1635 · CV · published

1634310. Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution.1635Alexandrova, A.; Jorgensen, W. L. J. Phys. Chem. B 2007, 111, 720-730.

Institution fields

Peer reviewed: yes
First author: Alexandrova
Co-authors: Alexandrova, A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution.	Why Urea Eliminates Ammonia Rather than Hydrolyzes in Aqueous Solution	Why urea eliminates ammonia rather than hydrolyzes in aqueous solution
year cv	2007	2007	2007
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp066478s	10.1021/jp066478s
first author openalex	Alexandrova	Alexandrova	Alexandrova

Citations

OpenAlex: 109
Scholar: 155
DOI: 10.1021/jp066478s
OpenAlex: W2062335913

Match decisions

doi merged · 1.00 · Run 18

2006 Assault on Resistance: The Use of Computational Chemistry in the Development of Anti-HIV Drugs. Current Pharmaceutical Design article CV OA GS

CV span

lines 1570–1573 · CV · published

1570296. Assault on Resistance: The Use of Computational Chemistry in the Development of1571Anti-HIV Drugs.1572Kroeger Smith, M. B.; Smith, R. H., Jr.; Jorgensen, W. L., Perspec. Drug Disc.1573Design 2006, 12, 1843-1856.

Institution fields

Peer reviewed: yes
First author: Kroeger Smith
Co-authors: Kroeger Smith, M. B.; Smith, R. H., Jr.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Assault on Resistance: The Use of Computational Chemistry in the Development of Anti-HIV Drugs.
year cv	2006
venue crossref	Perspec. Drug Disc. Design	Current Pharmaceutical Design
kind cv	article
DOI crossref	10.2174/138161206776873581
first author cv	Smith

Citations

OpenAlex: none
Scholar: none
DOI: 10.2174/138161206776873581

Match decisions

No decision recorded; a single record.

2006 Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1611–1614 · CV · published

1611305. Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital1612Methods for Organic Molecules.1613Sattelmeyer, K. W.; Tirado-Rives, J.; Jorgensen, W. L. J. Phys. Chem. A 2006, 110,161413551-13559.

Institution fields

Peer reviewed: yes
First author: Sattelmeyer
Co-authors: Sattelmeyer, K. W.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules.	Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules	Comparison of SCC-DFTB and NDDO-based semiempirical molecular orbital methods for organic molecules
year cv	2006	2006	2006
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article	other
DOI crossref	10.1021/jp064544k	10.1021/jp064544k
first author openalex	Sattelmeyer	Sattelmeyer	Sattelmeyer

Citations

OpenAlex: 135
Scholar: 168
DOI: 10.1021/jp064544k
OpenAlex: W2028014186

Match decisions

doi merged · 1.00 · Run 18

2006 Computer-Aided Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS needs review

CV span

lines 1579–1583 · CV · published

1579298. Computer-Aided Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.1580Jorgensen, W. L.; Ruiz-Caro, J.; Tirado-Rives, J.; Basavapathruni, A.; Anderson, K.15811582S.; Hamilton, A. D. Bioorg. Med. Chem. Lett. 2006, 16, 663-667. “BMCL - Top-501583most cited articles, 2006-2009.” PMID: 16263277

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Ruiz-Caro, J.; Tirado-Rives, J.; Basavapathruni, A.; Anderson, K. S.; Hamilton, A. D.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Computer-Aided Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.	Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase	Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase
year cv	2006	2005	2006
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & medicinal chemistry letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article	other
DOI crossref	10.1016/j.bmcl.2005.10.038	10.1016/j.bmcl.2005.10.038
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 136
Scholar: 162
DOI: 10.1016/j.bmcl.2005.10.038
OpenAlex: W2171787690

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

2006 Conformation of Alkanes in the Gas Phase and Pure Liquids. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1616–1618 · CV · published

1616306. Conformation of Alkanes in the Gas Phase and Pure Liquids.1617Thomas, L. L.; Christakis, T. J.; Jorgensen, W. L. J. Phys. Chem. B 2006, 110, 21198-161821204.

Institution fields

Peer reviewed: yes
First author: Thomas
Co-authors: Thomas, L. L.; Christakis, T. J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Conformation of Alkanes in the Gas Phase and Pure Liquids.	Conformation of Alkanes in the Gas Phase and Pure Liquids	Conformation of alkanes in the gas phase and pure liquids
year cv	2006	2006	2006
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp064811m	10.1021/jp064811m
first author openalex	Thomas	Thomas	Thomas

Citations

OpenAlex: 106
Scholar: 126
DOI: 10.1021/jp064811m
OpenAlex: W1980857219

Match decisions

doi merged · 1.00 · Run 18

2006 Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein-Ligand Binding. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1607–1609 · CV · published

1607304. Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for1608Protein-Ligand Binding.1609Tirado-Rives, J.; Jorgensen, W. L. J. Med. Chem. 2006, 49, 5880-5884.

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein-Ligand Binding.	Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein−Ligand Binding	Contribution of conformer focusing to the uncertainty in predicting free energies for protein− ligand binding
year cv	2006	2006	2006
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm060763i	10.1021/jm060763i
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 272
Scholar: 311
DOI: 10.1021/jm060763i
OpenAlex: W1990627326

Match decisions

doi merged · 1.00 · Run 18

2006 Cope Elimination: Elucidation of Solvent Effects from QM/MM Simulations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1594–1595 · CV · published

1594301. Cope Elimination: Elucidation of Solvent Effects from QM/MM Simulations.1595Acevedo, O.; Jorgensen, W. L. J. Am. Chem. Soc. 2006, 128, 6141-6146.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Cope Elimination: Elucidation of Solvent Effects from QM/MM Simulations.	Cope Elimination: Elucidation of Solvent Effects from QM/MM Simulations	Cope elimination: Elucidation of solvent effects from QM/MM simulations
year cv	2006	2006	2006
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja057523x	10.1021/ja057523x
first author openalex	Acevedo	Acevedo	Acevedo

Citations

OpenAlex: 85
Scholar: 108
DOI: 10.1021/ja057523x
OpenAlex: W1990691043

Match decisions

doi merged · 1.00 · Run 18

2006 Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its Lys142Ala Variant. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1623–1626 · CV · published

1623308. Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its1624Lys142Ala Variant.1625Tubert-Brohman, I.; Acevedo, O.; Jorgensen, W. L. J. Am. Chem. Soc. 2006, 128,162616904-16913.

Institution fields

Peer reviewed: yes
First author: Tubert-Brohman
Co-authors: Tubert-Brohman, I.; Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its Lys142Ala Variant.	Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its Lys142Ala Variant via QM/MM Simulations	Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations
year cv	2006	2006	2006
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja065863s	10.1021/ja065863s
first author openalex	Tubert-Brohman	Tubert‐Brohman	Tubert-Brohman

Citations

OpenAlex: 82
Scholar: 92
DOI: 10.1021/ja065863s
OpenAlex: W2050058776

Match decisions

doi merged · 1.00 · Run 18

2006 FEP-Guided Selection of Bicyclic Heterocycles in Lead Optimization for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 1628–1632 · CV · published

1628309. FEP-Guided Selection of Bicyclic Heterocycles in Lead Optimization for Non-1629Nucleoside Inhibitors of HIV-1 Reverse Transcriptase1630Kim, J. T.; Hamilton, A. D.; Bailey, C. M.; Domaoal, R. A.;Wang, L.;1631Anderson, K. S.; Jorgensen, W. L. J. Am. Chem. Soc. 2006, 128, 15372-15373.1632PMID: 17131993

Institution fields

Peer reviewed: yes
First author: Kim
Co-authors: Kim, J. T.; Hamilton, A. D.; Bailey, C. M.; Domaoal, R. A.; Wang, L.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	FEP-Guided Selection of Bicyclic Heterocycles in Lead Optimization for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase	FEP-Guided Selection of Bicyclic Heterocycles in Lead Optimization for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase	FEP-guided selection of bicyclic heterocycles in lead optimization for non-nucleoside inhibitors of HIV-1 reverse transcriptase
year cv	2006	2006	2006
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja066472g	10.1021/ja066472g
first author openalex	Kim	Kim	Kim

Citations

OpenAlex: 88
Scholar: 113
DOI: 10.1021/ja066472g
OpenAlex: W2043592573

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

2006 Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1620–1621 · CV · published

1620307. Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions.1621Jensen, K. P.; Jorgensen, W. L. J. Chem. Theory Comput. 2006, 2, 1499-1509.

Institution fields

Peer reviewed: yes
First author: Jensen
Co-authors: Jensen, K. P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions.	Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions	Halide, ammonium, and alkali metal ion parameters for modeling aqueous solutions
year cv	2006	2006	2006
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct600252r	10.1021/ct600252r
first author openalex	Jensen	Jensen	Jensen

Citations

OpenAlex: 453
Scholar: 551
DOI: 10.1021/ct600252r
OpenAlex: W1975588280

Match decisions

doi merged · 1.00 · Run 18

2006 Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations. The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 1597–1600 · CV · published

1597302. Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents1598from QM/MM Simulations.1599Acevedo, O.; Jorgensen, W. L.1600J. Org. Chem. 2006, 71, 4896-4902.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations.	Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations
year cv	2006	2006
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo060533b	10.1021/jo060533b
first author openalex	Acevedo	Acevedo

Citations

OpenAlex: 38
Scholar: none
DOI: 10.1021/jo060533b
OpenAlex: W2016386758

Match decisions

doi merged · 1.00 · Run 18

2006 NO-MNDO: Reintroduction of the Overlap Matrix into MNDO. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1575–1577 · CV · published

1575297. NO-MNDO: Reintroduction of the Overlap Matrix into MNDO.1576Sattelmeyer, K. W.; Tubert-Brohman, I.; Jorgensen, W. L.,1577J. Chem. Theory Comput. 2006, 2, 413-419.

Institution fields

Peer reviewed: yes
First author: Sattelmeyer
Co-authors: Sattelmeyer, K. W.; Tubert-Brohman, I.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	NO-MNDO: Reintroduction of the Overlap Matrix into MNDO.	NO-MNDO: Reintroduction of the Overlap Matrix into MNDO
year cv	2006	2006
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct050174c	10.1021/ct050174c
first author openalex	Sattelmeyer	Sattelmeyer

Citations

OpenAlex: 42
Scholar: none
DOI: 10.1021/ct050174c
OpenAlex: W1967227876

Match decisions

doi merged · 1.00 · Run 18

2006 Optimization of Diarylamines as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS needs review

CV span

lines 1585–1589 · CV · published

1585299. Optimization of Diarylamines as Non-Nucleoside Inhibitors of HIV-1 Reverse1586Transcriptase.1587Ruiz-Caro, J.; Basavapathruni, A.; Kim, J. T.; Wang, L.; Bailey, C. M.; Anderson,1588K. S.; Hamilton, A. D.; Jorgensen, W. L. Bioorg. Med. Chem. Lett. 2006, 16, 668-1589671.

Institution fields

Peer reviewed: yes
First author: Ruiz-Caro
Co-authors: Ruiz-Caro, J.; Basavapathruni, A.; Kim, J. T.; Wang, L.; Bailey, C. M.; Anderson, K. S.; Hamilton, A. D.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of Diarylamines as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.	Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptaseOptimization of Diarylamines as Non‐Nucleoside Inhibitors of HIV‐1 Reverse Transcriptase.
year cv	2006	20052006
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry LettersChemInform	Bioorganic & Medicinal Chemistry Letters
kind cv	article	articlearticle
DOI crossref	10.1016/j.bmcl.2005.10.037	10.1016/j.bmcl.2005.10.03710.1002/chin.200618152
first author openalex	Ruiz-Caro	Ruiz‐CaroRuiz‐Caro

Also recorded as

W2953188717 (DOI 10.1002/chin.200618152) · same title · 2006 Optimization of Diarylamines as Non‐Nucleoside Inhibitors of HIV‐1 Reverse Transcriptase.

Citations

OpenAlex: 45
Scholar: none
DOI: 10.1016/j.bmcl.2005.10.037
OpenAlex: W2160733446

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

2006 Optimization of Pyrimidinyl- and Triazinyl-amines as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS needs review

CV span

lines 1602–1605 · CV · published

1602303. Optimization of Pyrimidinyl- and Triazinyl-amines as Non-Nucleoside Inhibitors of1603HIV-1 Reverse Transcriptase.1604Thakur, V.; Kim, J. T.; Hamilton, A. D.; Bailey, C. M.; Domaoal, R. A.;Wang, L.;1605Anderson, K. S.; Jorgensen, W. L. Bioorg. Med. Chem. Lett. 2006, 16, 5664-5667.

Institution fields

Peer reviewed: yes
First author: Thakur
Co-authors: Thakur, V.; Kim, J. T.; Hamilton, A. D.; Bailey, C. M.; Domaoal, R. A.; Wang, L.; Anderson, K. S.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Optimization of Pyrimidinyl- and Triazinyl-amines as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.	Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase
year cv	2006	2006
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/j.bmcl.2006.08.037	10.1016/j.bmcl.2006.08.037
first author openalex	Thakur	Thakur

Citations

OpenAlex: 54
Scholar: none
DOI: 10.1016/j.bmcl.2006.08.037
OpenAlex: W2027952509

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

2006 Solvent Effects on the Rates of Organic Reactions from QM/MM Simulations. Ann. Rep. Comput. Chem. article CV OA GS needs review

CV span

lines 1591–1592 · CV · published

1591300. Solvent Effects on the Rates of Organic Reactions from QM/MM Simulations.1592Acevedo, O.; Jorgensen, W. L. Ann. Rep. Comput. Chem. 2006, 2, 263-278.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Solvent Effects on the Rates of Organic Reactions from QM/MM Simulations.
year cv	2006
venue cv	Ann. Rep. Comput. Chem.
kind cv	article
first author cv	Acevedo

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

2005 Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1532–1537 · CV · published

1532288. Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle1533Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics.1534Boger, D. L.; Miyauchi, H.; Du, W.; Hardouin, C.; Fecik, R. A.; Cheng, H.; Hwang,1535I.; Hedrick, M. P.; Leung, D.; Acevedo, O.; Guimaraes, C. R. W.; Jorgensen, W. L.;15361537Cravatt, B. F. J. Med. Chem. 2005, 48, 1849-1856.

Institution fields

Peer reviewed: yes
First author: Boger
Co-authors: Boger, D. L.; Miyauchi, H.; Du, W.; Hardouin, C.; Fecik, R. A.; Cheng, H.; Hwang, I.; Hedrick, M. P.; Leung, D.; Acevedo, O.; Guimaraes, C. R. W.; Jorgensen, W. L.; Cravatt, B. F.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics.	Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics	Discovery of a potent, selective, and efficacious class of reversible α-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics
year cv	2005	2004	2005
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm049614v	10.1021/jm049614v
first author openalex	Boger	Boger	Boger

Citations

OpenAlex: 214
Scholar: 272
DOI: 10.1021/jm049614v
OpenAlex: W2007924093

Match decisions

doi merged · 1.00 · Run 18

2005 Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to Prephenate. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1560–1563 · CV · published

1560294. Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate1561to Prephenate.1562Guimarães, C. R. W ; Blagović, M. U.; Tubert-Brohman, I.; Jorgensen, W. L., J.1563Chem. Theory Comput. 2005, 1, 617-625.

Institution fields

Peer reviewed: yes
First author: Guimarães
Co-authors: Guimarães, C. R. W ; Blagović, M. U.; Tubert-Brohman, I.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to Prephenate.	Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to Prephenate
year cv	2005	2005
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article
DOI crossref	10.1021/ct0500803	10.1021/ct0500803
first author openalex	Guimarães	Guimarães

Citations

OpenAlex: 32
Scholar: none
DOI: 10.1021/ct0500803
OpenAlex: W2056037482

Match decisions

doi merged · 1.00 · Run 18

2005 Elucidation of Fatty Acid Amide Hydrolase Inhibition by Potent α-Ketoheterocycle Derivatives from Monte Carlo Simulations Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 1565–1566 · CV · unverified · unknown

1565295. Elucidation of Fatty Acid Amide Hydrolase Inhibition by Potent α-Ketoheterocycle1566Derivatives from Monte Carlo Simulations.

Institution fields

Peer reviewed: none
First author: none
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title openalex	Elucidation of Fatty Acid Amide Hydrolase Inhibition by Potent α-Ketoheterocycle Derivatives from Monte Carlo Simulations.	Elucidation of Fatty Acid Amide Hydrolase Inhibition by Potent α-Ketoheterocycle Derivatives from Monte Carlo Simulations	Elucidation of fatty acid amide hydrolase inhibition by potent α-ketoheterocycle derivatives from Monte Carlo simulations
year openalex		2005	2005
venue openalex		Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	article	other
DOI openalex		10.1021/ja055438j
first author openalex	Jorgensen	Guimarães	Guimarães

Citations

OpenAlex: 180
Scholar: 225
DOI: 10.1021/ja055438j
OpenAlex: W2058315355

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Extension of the PDDG/PM3 semiempirical molecular orbital method to sulfur, silicon, and phosphorus. Journal of Chemical Theory and Computation article journal CV OA GS needs review

CV span

lines 1551–1554 · CV · published

1551292. Extension of the PDDG/PM3 semiempirical molecular orbital method to sulfur, silicon,1552and phosphorus.1553Tubert-Brohman, I.; Guimarães, C. R. W; Jorgensen, W. L.,1554J. Chem. Theory Comput. 2005, 1, 817-823.

Institution fields

Peer reviewed: yes
First author: Tubert-Brohman
Co-authors: Tubert-Brohman, I.; Guimarães, C. R. W; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Extension of the PDDG/PM3 semiempirical molecular orbital method to sulfur, silicon, and phosphorus.	Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus	Extension of the PDDG/PM3 semiempirical molecular orbital method to sulfur, silicon, and phosphorus
year cv	2005	2005	2005
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct0500287	10.1021/ct0500287
first author openalex	Tubert-Brohman	Tubert‐Brohman	Tubert-Brohman

Citations

OpenAlex: 74
Scholar: 101
DOI: 10.1021/ct0500287
OpenAlex: W2011017628

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Contains multiple closely related method extension papers by the same authors, though some represent different parts of the PDDG force field work.
doi merged · 1.00 · Run 18

2005 Guimarães, C. R. W ; Boger, D. L.; Jorgensen, W. L., J. Am. Chem. Soc. 2005, 127, 17377-17384 J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 1567–1568 · CV · unverified · published

1567Guimarães, C. R. W ; Boger, D. L.; Jorgensen, W. L., J. Am. Chem. Soc. 2005,1568127, 17377-17384.

Institution fields

Peer reviewed: yes
First author: Guimarães
Co-authors: Guimarães, C. R. W ; Boger, D. L.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Guimarães, C. R. W ; Boger, D. L.; Jorgensen, W. L., J. Am. Chem. Soc. 2005, 127, 17377-17384
year cv	2005
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Guimarães

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2005 Influence of Inter- and Intramolecular Hydrogen Bonding on Kemp Decarboxylations from QM/MM Simulations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1556–1558 · CV · published

1556293. Influence of Inter- and Intramolecular Hydrogen Bonding on Kemp Decarboxylations1557from QM/MM Simulations.1558O. Acevedo, W. L. Jorgensen, J. Am. Chem. Soc. 2005, 127, 8829-8834.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: O. Acevedo; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Influence of Inter- and Intramolecular Hydrogen Bonding on Kemp Decarboxylations from QM/MM Simulations.	Influence of Inter- and Intramolecular Hydrogen Bonding on Kemp Decarboxylations from QM/MM Simulations
year cv	2005	2005
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja051793y	10.1021/ja051793y
first author openalex	Acevedo	Acevedo

Citations

OpenAlex: 57
Scholar: none
DOI: 10.1021/ja051793y
OpenAlex: W2027220314

Match decisions

doi merged · 1.00 · Run 18

2005 Macrophomate Synthase: QM/MM Simulations Address the Diels-Alder versus Michael-Aldol Reaction Mechanism. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1539–1542 · CV · published

1539289. Macrophomate Synthase: QM/MM Simulations Address the Diels-Alder versus1540Michael-Aldol Reaction Mechanism.1541Guimarães, C. R. W ; Blagović, M. U.; Jorgensen, W. L., J. Am. Chem. Soc. 2005,1542127, 3577-3588.

Institution fields

Peer reviewed: yes
First author: Guimarães
Co-authors: Guimarães, C. R. W ; Blagović, M. U.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Macrophomate Synthase: QM/MM Simulations Address the Diels-Alder versus Michael-Aldol Reaction Mechanism.	Macrophomate Synthase: QM/MM Simulations Address the Diels−Alder versus Michael−Aldol Reaction Mechanism	Macrophomate synthase: QM/MM simulations address the Diels− Alder versus Michael− aldol reaction mechanism
year cv	2005	2005	2005
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja043905b	10.1021/ja043905b
first author openalex	Guimarães	Guimarães	Guimarães

Citations

OpenAlex: 111
Scholar: 162
DOI: 10.1021/ja043905b
OpenAlex: W2053700413

Match decisions

doi merged · 1.00 · Run 18

2005 Molecular Modeling of Organic and Biomolecular Systems Using BOSS and MCPRO. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1548–1549 · CV · published

1548291. Molecular Modeling of Organic and Biomolecular Systems Using BOSS and MCPRO.1549Jorgensen, W. L.; Tirado-Rives, J. J. Comput. Chem. 2005, 26, 1689-1700.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Tirado-Rives, J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Molecular Modeling of Organic and Biomolecular Systems Using BOSS and MCPRO.	Molecular modeling of organic and biomolecular systems using BOSS and MCPRO	Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
year cv	2005	2005	2005
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.20297	10.1002/jcc.20297
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 437
Scholar: 535
DOI: 10.1002/jcc.20297
OpenAlex: W1990161102

Match decisions

doi merged · 1.00 · Run 18

2005 Potential energy functions for atomic-level simulations of water, and organic and biomolecular systems. Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1544–1546 · CV · published

1544290. Potential energy functions for atomic-level simulations of water, and organic and1545biomolecular systems.1546Jorgensen, W. L.; Tirado-Rives, J. Proc. Nat. Acad. Sci. USA 2005, 102, 6665-6670.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Tirado-Rives, J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Potential energy functions for atomic-level simulations of water, and organic and biomolecular systems.	Potential energy functions for atomic-level simulations of water and organic and biomolecular systems	Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
year cv	2005	2005	2005
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article	other
DOI crossref	10.1073/pnas.0408037102	10.1073/pnas.0408037102
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 1648
Scholar: 1966
DOI: 10.1073/pnas.0408037102
OpenAlex: W2043668344

Match decisions

doi merged · 1.00 · Run 18

2005 Relationship between side chain structure and 14-helix stability of β3-peptides in water. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1528–1530 · CV · published

1528287. Relationship between side chain structure and 14-helix stability of β3-peptides in water.1529Kritzer, J. A.; Tirado-Rives, J.; Hart, S. A.; Lear, J. D.; Jorgensen, W. L.;1530Schepartz, A. J. Am. Chem. Soc. 2005, 127, 167-178.

Institution fields

Peer reviewed: yes
First author: Kritzer
Co-authors: Kritzer, J. A.; Tirado-Rives, J.; Hart, S. A.; Lear, J. D.; Jorgensen, W. L.; Schepartz, A.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Relationship between side chain structure and 14-helix stability of β3-peptides in water.	Relationship between Side Chain Structure and 14-Helix Stability of β3-Peptides in Water	Relationship between side chain structure and 14-helix stability of β3-peptides in water
year cv	2005	2004	2005
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja0459375	10.1021/ja0459375
first author openalex	Kritzer	Kritzer	Kritzer

Citations

OpenAlex: 93
Scholar: 140
DOI: 10.1021/ja0459375
OpenAlex: W2130910126

Match decisions

doi merged · 1.00 · Run 18

2004 Accuracy of Free Energies of Hydration from CM1 and CM3 Atomic Charges. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1497–1499 · CV · published

1497280. Accuracy of Free Energies of Hydration from CM1 and CM3 Atomic Charges.1498Blagović, M. U.; Morales de Tirado, P.; Pearlman, S. A.; Jorgensen, W. L., J.1499Comput. Chem. 2004, 25, 1322-1332.

Institution fields

Peer reviewed: yes
First author: Blagović
Co-authors: Blagović, M. U.; Morales de Tirado, P.; Pearlman, S. A.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Accuracy of Free Energies of Hydration from CM1 and CM3 Atomic Charges.	Accuracy of free energies of hydration using CM1 and CM3 atomic charges	Accuracy of free energies of hydration using CM1 and CM3 atomic charges
year cv	2004	2004	2004
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.20059	10.1002/jcc.20059
first author openalex	Blagović	Udier–Blagović	Udier–Blagović

Citations

OpenAlex: 148
Scholar: 169
DOI: 10.1002/jcc.20059
OpenAlex: W1998931691

Match decisions

doi merged · 1.00 · Run 18

2004 Energetic Preferences for α, β- versus β, γ-Unsaturation. The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 1516–1518 · CV · published

1516284. Energetic Preferences for α, β- versus β, γ-Unsaturation.1517Lee, P. S.; Du, W.; Boger, D. L.; Jorgensen, W. L. J. Org. Chem. 2004, 69, 5448-15185453.

Institution fields

Peer reviewed: yes
First author: Lee
Co-authors: Lee, P. S.; Du, W.; Boger, D. L.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Energetic Preferences for α, β- versus β, γ-Unsaturation.	Energetic Preferences for α,β versus β,γ Unsaturation
year cv	2004	2004
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo049363y	10.1021/jo049363y
first author openalex	Lee	Lee

Citations

OpenAlex: 17
Scholar: none
DOI: 10.1021/jo049363y
OpenAlex: W2325401617

Match decisions

doi merged · 1.00 · Run 18

2004 Extension of the PDDG/PM3 and PDDG/MNDO Semiempirical Molecular Orbital Methods to the Halogens. Journal of Computational Chemistry article journal CV OA GS needs review

CV span

lines 1474–1477 · CV · published

1474275. Extension of the PDDG/PM3 and PDDG/MNDO Semiempirical Molecular Orbital1475Methods to the Halogens.1476Tubert-Brohman, I.; Guimaraes, C. R. W; Repasky, M. P.; Jorgensen, W. L.,1477J. Comput. Chem. 2004, 25, 138-150.

Institution fields

Peer reviewed: yes
First author: Tubert-Brohman
Co-authors: Tubert-Brohman, I.; Guimaraes, C. R. W; Repasky, M. P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Extension of the PDDG/PM3 and PDDG/MNDO Semiempirical Molecular Orbital Methods to the Halogens.	Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens	Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
year cv	2004	2003	2004
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.10356	10.1002/jcc.10356
first author openalex	Tubert-Brohman	Tubert‐Brohman	Tubert‐Brohman

Citations

OpenAlex: 79
Scholar: 113
DOI: 10.1002/jcc.10356
OpenAlex: W2153177903

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Contains multiple closely related method extension papers by the same authors, though some represent different parts of the PDDG force field work.
doi merged · 1.00 · Run 18

2004 Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1511–1514 · CV · published

1511283. Free Energies of Hydration from a Generalized Born Model and an All-Atom Force1512Field.1513Jorgensen, W. L.; Ulmschneider, J. P.; Tirado-Rives, J. J. Phys. Chem. B 2004,1514108, 16264-16270.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: Jorgensen, W. L.; Ulmschneider, J. P.; Tirado-Rives, J.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field.	Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field	Free energies of hydration from a generalized Born model and an ALL-atom force field
year cv	2004	2004	2004
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp0484579	10.1021/jp0484579
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 204
Scholar: 255
DOI: 10.1021/jp0484579
OpenAlex: W2009943548

Match decisions

doi merged · 1.00 · Run 18

2004 General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo Simulations. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1493–1495 · CV · published

1493279. General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo1494Simulations.1495Tominaga, Y. & Jorgensen, W. L., J. Med. Chem. 2004, 47, 2534-2549.

Institution fields

Peer reviewed: yes
First author: Tominaga
Co-authors: Tominaga, Y.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo Simulations.	General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo Simulations
year cv	2004	2004
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm0304358	10.1021/jm0304358
first author openalex	Tominaga	Tominaga

Citations

OpenAlex: 47
Scholar: none
DOI: 10.1021/jm0304358
OpenAlex: W2093042791

Match decisions

doi merged · 1.00 · Run 18

2004 Monte Carlo Backbone Sampling for Nucleic Acids using Concerted Rotations including Variable Bond Angles. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1524–1526 · CV · published

1524286. Monte Carlo Backbone Sampling for Nucleic Acids using Concerted Rotations1525including Variable Bond Angles.1526Ulmschneider, J. P.; Jorgensen, W. L. J. Phys. Chem. B 2004, 108, 16883-16892.

Institution fields

Peer reviewed: yes
First author: Ulmschneider
Co-authors: Ulmschneider, J. P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Backbone Sampling for Nucleic Acids using Concerted Rotations including Variable Bond Angles.	Monte Carlo Backbone Sampling for Nucleic Acids Using Concerted Rotations Including Variable Bond Angles
year cv	2004	2004
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article
DOI crossref	10.1021/jp047796z	10.1021/jp047796z
first author openalex	Ulmschneider	Ulmschneider

Citations

OpenAlex: 55
Scholar: none
DOI: 10.1021/jp047796z
OpenAlex: W2071693096

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1063/1.1542611 and title on Monte Carlo backbone sampling for polypeptides.

2004 Polypeptide Folding using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1488–1491 · CV · published

1488278. Polypeptide Folding using Monte Carlo Sampling, Concerted Rotation, and Continuum1489Solvation.1490Ulmschneider, J. P.; Jorgensen, W. L., J. Am. Chem. Soc. 2004, 126, 1849-1857.1491DOI: 10.1021/ja0378862

Institution fields

Peer reviewed: yes
First author: Ulmschneider
Co-authors: Ulmschneider, J. P.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Polypeptide Folding using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation.	Polypeptide Folding Using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation	Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation
year cv	2004	2004	2004
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI cv	10.1021/ja0378862	10.1021/ja0378862
first author openalex	Ulmschneider	Ulmschneider	Ulmschneider

Citations

OpenAlex: 80
Scholar: 95
DOI: 10.1021/ja0378862
OpenAlex: W2085855259

Match decisions

doi merged · 1.00 · Run 18

2004 Solvent Effects and Mechanism for a Nucleophilic Aromatic Substitution from QM/MM Simulations. Organic Letters article journal CV OA GS

CV span

lines 1520–1522 · CV · published

1520285. Solvent Effects and Mechanism for a Nucleophilic Aromatic Substitution from1521QM/MM Simulations.1522Acevedo, O.; Jorgensen, W. L. Org. Lett. 2004, 6, 2881-2884.

Institution fields

Peer reviewed: yes
First author: Acevedo
Co-authors: Acevedo, O.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Solvent Effects and Mechanism for a Nucleophilic Aromatic Substitution from QM/MM Simulations.	Solvent Effects and Mechanism for a Nucleophilic Aromatic Substitution from QM/MM Simulations	Solvent effects and mechanism for a nucleophilic aromatic substitution from QM/MM simulations
year cv	2004	2004	2004
venue crossref	Org. Lett.	Organic Letters	Organic letters	Organic Letters
kind cv	article	article	other
DOI crossref	10.1021/ol049121k	10.1021/ol049121k
first author openalex	Acevedo	Acevedo	Acevedo

Citations

OpenAlex: 100
Scholar: 119
DOI: 10.1021/ol049121k
OpenAlex: W1977646165

Match decisions

doi merged · 1.00 · Run 18

2004 Steric Retardation of SN2 Reactions in the Gas Phase and Solution. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1484–1486 · CV · published

1484277. Steric Retardation of SN2 Reactions in the Gas Phase and Solution.1485Vayner, G.; Houk, K. N.; Jorgensen, W. L.; Brauman, J. I., J. Am. Chem. Soc. 2004,1486126, 9054-9058. DOI: 10.1021/ja049070m

Institution fields

Peer reviewed: yes
First author: Vayner
Co-authors: Vayner, G.; Houk, K. N.; Jorgensen, W. L.; Brauman, J. I.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Steric Retardation of SN2 Reactions in the Gas Phase and Solution.	Steric Retardation of S N 2 Reactions in the Gas Phase and Solution	Steric retardation of SN2 reactions in the gas phase and solution
year cv	2004	2004	2004
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI cv	10.1021/ja049070m	10.1021/ja049070m
first author openalex	Vayner	Vayner	Vayner

Citations

OpenAlex: 186
Scholar: 223
DOI: 10.1021/ja049070m
OpenAlex: W2324603767

Match decisions

doi merged · 1.00 · Run 18

2004 Structural and Energetic Analyses for the Effects of the K103N Mutation of HIV-1 Reverse Transcriptase on Efavirenz Analogs. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1479–1482 · CV · published

1479276. Structural and Energetic Analyses for the Effects of the K103N Mutation of HIV-11480Reverse Transcriptase on Efavirenz Analogs.1481Blagović, M. U.; Tirado-Rives, J.; Jorgensen, W. L., J. Med. Chem. 2004, 46, 2389-14822392.

Institution fields

Peer reviewed: yes
First author: Blagović
Co-authors: Blagović, M. U.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural and Energetic Analyses for the Effects of the K103N Mutation of HIV-1 Reverse Transcriptase on Efavirenz Analogs.	Structural and Energetic Analyses of the Effects of the K103N Mutation of HIV-1 Reverse Transcriptase on Efavirenz Analogues
year cv	2004	2004
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm0303507	10.1021/jm0303507
first author openalex	Blagović	Udier–Blagović

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1021/jm0303507
OpenAlex: W2038831151

Match decisions

doi merged · 1.00 · Run 18

2004 The Many Roles of Computation in Drug Discovery. Science article journal CV OA GS

CV span

lines 1508–1509 · CV · published

1508282. The Many Roles of Computation in Drug Discovery.1509Jorgensen, W. L., Science 2004, 303, 1813-1818. PMID: 15031495

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	The Many Roles of Computation in Drug Discovery.	The Many Roles of Computation in Drug Discovery	The many roles of computation in drug discovery
year cv	2004	2004	2004
venue crossref	Science	Science	Science
kind cv	article	article	other
DOI crossref	10.1126/science.1096361	10.1126/science.1096361
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 1575
Scholar: 2211
DOI: 10.1126/science.1096361
OpenAlex: W2050273205

Match decisions

doi merged · 1.00 · Run 18

2003 Activity Predictions for Efavirenz Analogues with the K103N Mutant of HIV Reverse Transcriptase. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1460–1463 · CV · published

1460272. Activity Predictions for Efavirenz Analogues with the K103N Mutant of HIV Reverse1461Transcriptase.1462Blagović, M. U.; Watkins, E. K.; Tirado-Rives, J.; Jorgensen, W. L., Bioorg. Med.1463Chem. Lett. 2003, 13, 3337-3340.

Institution fields

Peer reviewed: yes
First author: Blagović
Co-authors: Blagović, M. U.; Watkins, E. K.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Activity Predictions for Efavirenz Analogues with the K103N Mutant of HIV Reverse Transcriptase.	Activity predictions for efavirenz analogues with the K103N mutant of HIV reverse transcriptase
year cv	2003	2003
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/s0960-894x(03)00681-4	10.1016/s0960-894x(03)00681-4
first author openalex	Blagović	Udier–Blagović

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1016/s0960-894x(03)00681-4
OpenAlex: W2086842104

Match decisions

doi merged · 1.00 · Run 18

2003 Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1470–1472 · CV · published

1470274. Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations.1471Ostrovsky, D.; Blagović, M. U.; Jorgensen, W. L., J. Med. Chem. 2003, 46, 5691-14725699.

Institution fields

Peer reviewed: yes
First author: Ostrovsky
Co-authors: Ostrovsky, D.; Blagović, M. U.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations.	Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations
year cv	2003	2003
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm030288d	10.1021/jm030288d
first author openalex	Ostrovsky	Ostrovsky

Citations

OpenAlex: 24
Scholar: none
DOI: 10.1021/jm030288d
OpenAlex: W2005860720

Match decisions

doi merged · 1.00 · Run 18

2003 Contributions of Conformational Compression and Preferential Transition State Stabilization to the Rate Enhancement by Chorismate Mutase. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1455–1458 · CV · published

1455271. Contributions of Conformational Compression and Preferential Transition State1456Stabilization to the Rate Enhancement by Chorismate Mutase.1457Guimaraes, C. R. W.; Repasky, M. P.; Chandrasekhar, J.; Tirado-Rives, J.; Jorgensen,1458W. L. J. Am. Chem. Soc. 2003, 125, 6892-6899. DOI: 10.1021/ja021424r

Institution fields

Peer reviewed: yes
First author: Guimaraes
Co-authors: Guimaraes, C. R. W.; Repasky, M. P.; Chandrasekhar, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Contributions of Conformational Compression and Preferential Transition State Stabilization to the Rate Enhancement by Chorismate Mutase.	Contributions of Conformational Compression and Preferential Transition State Stabilization to the Rate Enhancement by Chorismate Mutase	Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase
year cv	2003	2003	2003
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI cv	10.1021/ja021424r	10.1021/ja021424r
first author openalex	Guimaraes	Guimarães	Guimarães

Citations

OpenAlex: 66
Scholar: 94
DOI: 10.1021/ja021424r
OpenAlex: W2046440403

Match decisions

doi merged · 1.00 · Run 18

2003 HIV-1 Reverse Transcriptase Variants: Molecular Modeling of Y181C, V106A, L100I, and K103N Mutations with Non-Nucleoside Inhibitors. Drug Design and Discovery article journal CV OA GS

CV span

lines 1501–1506 · CV · published

1501281. HIV-1 Reverse Transcriptase Variants: Molecular Modeling of Y181C, V106A, L100I,1502and K103N Mutations with Non-Nucleoside Inhibitors.1503Marilyn B. Kroeger Smith, Sandra Ruby, Stanislav Horouzhenko, Bryan1504Buckingham, Julia Richardson, Ina Puleri, Emily Potts, William L. Jorgensen,1505Edward Arnold, Wanyi Zhang, Stephen H. Hughes, Christopher J. Michejda, and1506Richard H. Smith, Jr. Drug Design Disc. 2003, 18, 151-163

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: Marilyn B. Kroeger Smith; Sandra Ruby; Stanislav Horouzhenko; Bryan Buckingham; Julia Richardson; Ina Puleri; Emily Potts; William L. Jorgensen; Edward Arnold; Wanyi Zhang; Stephen H. Hughes; Christopher J. Michejda; Richard H. Smith, Jr.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	HIV-1 Reverse Transcriptase Variants: Molecular Modeling of Y181C, V106A, L100I, and K103N Mutations with Non-Nucleoside Inhibitors.	HIV-1 Reverse Transcriptase Variants: Molecular Modeling of Y181C, V106A, L100I, and K103N Mutations with Nonnucleoside Inhibitors Using Monte Carlo Simulations in Combination with a Linear Response Method
year cv	2003	2003
venue crossref	Drug Design Disc.	Drug design and discovery	Drug Design and Discovery
kind cv	article	article
DOI crossref	10.3109/10559610390484203	10.3109/10559610390484203
first author openalex	Smith	Smith

Citations

OpenAlex: 3
Scholar: none
DOI: 10.3109/10559610390484203
OpenAlex: W2026518941

Match decisions

doi merged · 1.00 · Run 18

2003 Investigation of Solvent Effects for the Claisen Rearrangement of Chorismate to Prephenate: Mechanistic Interpretation via Near Attack Conformations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1450–1453 · CV · published

1450270. Investigation of Solvent Effects for the Claisen Rearrangement of Chorismate to1451Prephenate: Mechanistic Interpretation via Near Attack Conformations.1452Repasky, M. P.; Guimaraes, C. R. W.; Chandrasekhar, J.; Tirado-Rives, J.; Jorgensen,1453W. L. J. Am. Chem. Soc. 2003, 125, 6663-6672. DOI: 10.1021/ja021423z

Institution fields

Peer reviewed: yes
First author: Repasky
Co-authors: Repasky, M. P.; Guimaraes, C. R. W.; Chandrasekhar, J.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Investigation of Solvent Effects for the Claisen Rearrangement of Chorismate to Prephenate: Mechanistic Interpretation via Near Attack Conformations.	Investigation of Solvent Effects for the Claisen Rearrangement of Chorismate to Prephenate: Mechanistic Interpretation via Near Attack Conformations
year cv	2003	2003
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI cv	10.1021/ja021423z	10.1021/ja021423z
first author openalex	Repasky	Repasky

Citations

OpenAlex: 52
Scholar: none
DOI: 10.1021/ja021423z
OpenAlex: W2044416921

Match decisions

doi merged · 1.00 · Run 18

2003 Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside Inhibitors: Correlation of Binding Energy with Biological Activity for Novel 2-Aryl- Substituted Benzimidazole Analogs. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1438–1443 · CV · published

1438268. Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside1439Inhibitors: Correlation of Binding Energy with Biological Activity for Novel 2-Aryl-1440Substituted Benzimidazole Analogs.1441Kroeger Smith, M. B.; Hose, B. M.; Hawkins, A.; Lipchock, J.; Farnsworth, D. W.;1442Rizzo, R. C.; Tirado-Rives, J.; Arnold, A.; Zhang, W.; Hughes, S. H.; Jorgensen,1443W. L.; Michejda, C. J.; and Smith, R. H., Jr., J. Med. Chem. 2003, 46, 1940-1947.

Institution fields

Peer reviewed: yes
First author: Kroeger Smith
Co-authors: Kroeger Smith, M. B.; Hose, B. M.; Hawkins, A.; Lipchock, J.; Farnsworth, D. W.; Rizzo, R. C.; Tirado-Rives, J.; Arnold, A.; Zhang, W.; Hughes, S. H.; Jorgensen, W. L.; Michejda, C. J.; Smith, R. H., Jr.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside Inhibitors: Correlation of Binding Energy with Biological Activity for Novel 2-Aryl- Substituted Benzimidazole Analogs.	Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside Inhibitors: Correlation of Binding Energy with Biological Activity for Novel 2-Aryl-Substituted Benzimidazole Analogues
year cv	2003	2003
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm020271f	10.1021/jm020271f
first author openalex	Smith	Smith

Citations

OpenAlex: 39
Scholar: none
DOI: 10.1021/jm020271f
OpenAlex: W2156548893

Match decisions

doi merged · 1.00 · Run 18

2003 Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1445–1448 · CV · published

1445269. Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral1446angles using concerted rotations and a Gaussian bias.14471448Ulmschneider, J.; Jorgensen, W. L. J. Chem. Phys. 2003, 118, 4261-4271.

Institution fields

Peer reviewed: yes
First author: Ulmschneider
Co-authors: Ulmschneider, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias.	Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias	Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias
year cv	2003	2003	2003
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.1542611	10.1063/1.1542611
first author openalex	Ulmschneider	Ulmschneider	Ulmschneider

Citations

OpenAlex: 120
Scholar: 112
DOI: 10.1063/1.1542611
OpenAlex: W2017251721

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1063/1.1542611 and title on Monte Carlo backbone sampling for polypeptides.

2003 Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with the Novel Non-nucleoside Inhibitor TMC125. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1465–1468 · CV · published

1465273. Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with the Novel1466Non-nucleoside Inhibitor TMC125.1467Blagović, M. U.; Tirado-Rives, J.; Jorgensen, W. L., J. Am. Chem. Soc. 2003, 125,14686016-6017. DOI: 10.1021/ja034308c

Institution fields

Peer reviewed: yes
First author: Blagović
Co-authors: Blagović, M. U.; Tirado-Rives, J.; Jorgensen, W. L.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with the Novel Non-nucleoside Inhibitor TMC125.	Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Nonnucleoside Inhibitor TMC125	Validation of a model for the complex of HIV-1 reverse transcriptase with nonnucleoside inhibitor TMC125
year cv	2003	2003	2003
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI cv	10.1021/ja034308c	10.1021/ja034308c
first author openalex	Blagović	Udier–Blagović	Udier-Blagović

Citations

OpenAlex: 72
Scholar: 101
DOI: 10.1021/ja034308c
OpenAlex: W2063865579

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ja034308c and title on validation of a model for HIV-1 reverse transcriptase with TMC125.

2002 Energy component analysis for dilute aqueous solutions of lithium (1+), sodium (1+), fluoride (1-), and chloride (1-) ions Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Energy component analysis for dilute aqueous solutions of lithium (1+), sodium (1+), fluoride (1-), and chloride (1-) ions
year scholar			2002
venue scholar			Journal of the American Chemical Society
kind scholar			other
first author scholar			Chandrasekhar

Citations

OpenAlex: none
Scholar: 814

Match decisions

No decision recorded; a single record.

2002 Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo – Extended Linear Response. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1423–1426 · CV · published

1423265. Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo1424– Extended Linear Response.1425S. S. Wesolowski and W. L. Jorgensen,1426Bioorg. Med. Chem. Lett., 12, 267-270 (2002).

Institution fields

Peer reviewed: yes
First author: Wesolowski
Co-authors: S. S. Wesolowski; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo – Extended Linear Response.	Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo-Extended Linear Response
year cv	2002	2002
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/s0960-894x(01)00825-3	10.1016/s0960-894x(01)00825-3
first author openalex	Wesolowski	Wesolowski

Citations

OpenAlex: 34
Scholar: none
DOI: 10.1016/s0960-894x(01)00825-3
OpenAlex: W2084226209

Match decisions

doi merged · 1.00 · Run 18

2002 Improved Semiempirical Heats of Formation through the Use of Bond and Group Equivalents. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1403–1406 · CV · published

1403261. Improved Semiempirical Heats of Formation through the Use of Bond and Group1404Equivalents.1405M. P. Repasky, J. Chandrasekhar, and W. L. Jorgensen,1406J. Comput. Chem., 23, 498-510 (2002).

Institution fields

Peer reviewed: yes
First author: Repasky
Co-authors: M. P. Repasky; J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Improved Semiempirical Heats of Formation through the Use of Bond and Group Equivalents.	Improved semiempirical heats of formation through the use of bond and group equivalents
year cv	2002	2002
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.10023	10.1002/jcc.10023
first author openalex	Repasky	Repasky

Citations

OpenAlex: 24
Scholar: none
DOI: 10.1002/jcc.10023
OpenAlex: W2034690727

Match decisions

doi merged · 1.00 · Run 18

2002 PDDG/PM3 and PDDG/MNDO: Improved Semiempirical Methods. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1434–1437 · CV · published

1434267. PDDG/PM3 and PDDG/MNDO: Improved Semiempirical Methods.1435M. P. Repasky, J. Chandrasekhar, and W. L. Jorgensen,1436J. Comput. Chem., 23, 1601-1622 (2002).1437

Institution fields

Peer reviewed: yes
First author: Repasky
Co-authors: M. P. Repasky; J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	PDDG/PM3 and PDDG/MNDO: Improved Semiempirical Methods.	PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods	PDDG/PM3 and PDDG/MNDO: improved semiempirical methods
year cv	2002	2002	2002
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.10162	10.1002/jcc.10162
first author openalex	Repasky	Repasky	Repasky

Citations

OpenAlex: 296
Scholar: 409
DOI: 10.1002/jcc.10162
OpenAlex: W2158384190

Match decisions

doi merged · 1.00 · Run 18

2002 Prediction of Activity for Non-nucleoside Inhibitors with HIV Reverse Transcriptase Based on Monte Carlo Simulations. Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1428–1432 · CV · published

1428266. Prediction of Activity for Non-nucleoside Inhibitors with HIV Reverse Transcriptase1429Based on Monte Carlo Simulations.1430R. C. Rizzo, M. Udier Blagovic, D.-P. Wang, E. K. Watkins, M. B. Kroeger Smith, R.1431H. Smith, Jr., J. Tirado-Rives, and W. L. Jorgensen,1432J. Med. Chem., 45, 2970-2987 (2002).

Institution fields

Peer reviewed: yes
First author: Rizzo
Co-authors: R. C. Rizzo; M. Udier Blagovic; D.-P. Wang; E. K. Watkins; M. B. Kroeger Smith; R. H. Smith, Jr.; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of Activity for Non-nucleoside Inhibitors with HIV Reverse Transcriptase Based on Monte Carlo Simulations.	Prediction of Activity for Nonnucleoside Inhibitors with HIV-1 Reverse Transcriptase Based on Monte Carlo Simulations	Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations
year cv	2002	2002	2002
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm010580q	10.1021/jm010580q
first author openalex	Rizzo	Rizzo	Rizzo

Citations

OpenAlex: 88
Scholar: 109
DOI: 10.1021/jm010580q
OpenAlex: W2080560949

Match decisions

doi merged · 1.00 · Run 18

2002 Prediction of Drug Solubility from Structure. Advanced Drug Delivery Reviews article journal CV OA GS

CV span

lines 1408–1410 · CV · published

1408262. Prediction of Drug Solubility from Structure.1409W. L. Jorgensen and E. M. Duffy,1410Adv. Drug Delivery Reviews, 54, 355-366 (2002).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. M. Duffy
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of Drug Solubility from Structure.	Prediction of drug solubility from structure	Prediction of drug solubility from structure
year cv	2002	2002	2002
venue crossref	Adv. Drug Delivery Reviews	Advanced Drug Delivery Reviews	Advanced drug delivery reviews	Advanced Drug Delivery Reviews
kind cv	article	review	other
DOI crossref	10.1016/s0169-409x(02)00008-x	10.1016/s0169-409x(02)00008-x
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 894
Scholar: 1128
DOI: 10.1016/s0169-409x(02)00008-x
OpenAlex: W2036291177

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1016/s0169-409x(02)00008-x and title on prediction of drug solubility from structure.

2002 QM/MM Simulations of Cycloaddition Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effects. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1418–1421 · CV · published

1418264. QM/MM Simulations of Cycloaddition Reactions in Water: Contribution of Enhanced1419Hydrogen Bonding at the Transition State to the Solvent Effects.1420J. Chandrasekhar, S. Shariffskul, and W. L. Jorgensen,1421J. Phys. Chem. B, 106, 8078-8085 (2002). (Tully Issue)

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; S. Shariffskul; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	QM/MM Simulations of Cycloaddition Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effects.	QM/MM Simulations for Diels−Alder Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effect	QM/MM simulations for Diels− Alder reactions in water: Contribution of enhanced hydrogen bonding at the transition state to the solvent effect
year cv	2002	2002	2002
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp020326p	10.1021/jp020326p
first author openalex	Chandrasekhar	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 181
Scholar: 213
DOI: 10.1021/jp020326p
OpenAlex: W1999549845

Match decisions

doi merged · 1.00 · Run 18

2002 Three- vs. Four-Coordinate Phosphorus in the Gas Phase and in Solution: Treacherous Relative Energies for Phosphine Oxide and Phosphinous Acid. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1412–1416 · CV · published

1412263. Three- vs. Four-Coordinate Phosphorus in the Gas Phase and in Solution: Treacherous1413Relative Energies for Phosphine Oxide and Phosphinous Acid.1414S. S. Wesolowski, N. R. Brinkmann, E. F. Valeev, H. F. Schaefer III, M. P. Repasky,1415and W. L. Jorgensen,1416J. Chem. Phys., 116, 112-122 (2002).

Institution fields

Peer reviewed: yes
First author: Wesolowski
Co-authors: S. S. Wesolowski; N. R. Brinkmann; E. F. Valeev; H. F. Schaefer III; M. P. Repasky; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Three- vs. Four-Coordinate Phosphorus in the Gas Phase and in Solution: Treacherous Relative Energies for Phosphine Oxide and Phosphinous Acid.	Three- versus four-coordinate phosphorus in the gas phase and in solution: Treacherous relative energies for phosphine oxide and phosphinous acid
year cv	2002	2002
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref	10.1063/1.1418440	10.1063/1.1418440
first author openalex	Wesolowski	Wesolowski

Citations

OpenAlex: 31
Scholar: none
DOI: 10.1063/1.1418440
OpenAlex: W2070931916

Match decisions

doi merged · 1.00 · Run 18

2001 Antiviral Drug Design: Computational Analyses of the Effects of the L100I Mutation for HIV-RT on the Binding of NNRTIs. Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1393–1396 · CV · published

1393259. Antiviral Drug Design: Computational Analyses of the Effects of the L100I Mutation for1394HIV-RT on the Binding of NNRTIs.1395D.-P. Wang, R. C. Rizzo, J. Tirado-Rives, and W. L. Jorgensen,1396Bioorg. Med. Chem. Lett., 11, 2799-2802 (2001).

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: D.-P. Wang; R. C. Rizzo; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Antiviral Drug Design: Computational Analyses of the Effects of the L100I Mutation for HIV-RT on the Binding of NNRTIs.	Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs
year cv	2001	2001
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/s0960-894x(01)00510-8	10.1016/s0960-894x(01)00510-8
first author openalex	Wang	Wang

Citations

OpenAlex: 41
Scholar: none
DOI: 10.1016/s0960-894x(01)00510-8
OpenAlex: W2014034451

Match decisions

doi merged · 1.00 · Run 18

2001 COX-2, Src SH2 Domain, HIV Reverse Transcriptase, and Thrombin: Computational Approaches to Drug Design. Free Energy Calculations in Rational Drug Design chapter CV OA GS

CV span

lines 1381–1386 · CV · published

1381257. COX-2, Src SH2 Domain, HIV Reverse Transcriptase, and Thrombin: Computational1382Approaches to Drug Design.1383W. L. Jorgensen, M. L. P. Price, D. J. Price, R. C. Rizzo, D. Wang, A. C. Pierce, and1384J. Tirado-Rives,1385In Free Energy Calculations in Rational Drug Design, M. R. Reddy and M. D. Elion,1386Eds.; Kluwer: New York, 2001; p 299-316.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. L. P. Price; D. J. Price; R. C. Rizzo; D. Wang; A. C. Pierce; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: Kluwer
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	COX-2, Src SH2 Domain, HIV Reverse Transcriptase, and Thrombin: Computational Approaches to Drug Design.
year cv	2001
venue cv	Free Energy Calculations in Rational Drug Design
kind cv	chapter
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2001 Diffusion constant of the TIP5P model of liquid water The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1331–1333 · CV · published

1331247. Diffusion constant of the TIP5P model of liquid water.1332M. W. Mahoney and W. L. Jorgensen,1333J. Chem. Phys., 114, 363-366 (2001).

Institution fields

Peer reviewed: yes
First author: Mahoney
Co-authors: M. W. Mahoney; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Diffusion constant of the TIP5P model of liquid water	Diffusion constant of the TIP5P model of liquid water	Diffusion constant of the TIP5P model of liquid water
year cv	2001	2001	2001
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.1329346	10.1063/1.1329346
first author openalex	Mahoney	Mahoney	Mahoney

Citations

OpenAlex: 340
Scholar: 458
DOI: 10.1063/1.1329346
OpenAlex: W2040118401

Match decisions

doi merged · 1.00 · Run 18

2001 Efficient Exploration of Conformational Space Using the Stochastic Search Method: Application to -Peptide Oligomers Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1345–1348 · CV · published

1345250. Efficient Exploration of Conformational Space Using the Stochastic Search Method:1346Application to -Peptide Oligomers.1347J. Chandrasekhar, M. Saunders, and W. L. Jorgensen,1348J. Comput. Chem., 22, 1646-1654 (2001).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; M. Saunders; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Efficient Exploration of Conformational Space Using the Stochastic Search Method: Application to -Peptide Oligomers	Efficient exploration of conformational space using the stochastic search method: application to β‐peptide oligomers
year cv	2001	2001
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.1120	10.1002/jcc.1120
first author openalex	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 31
Scholar: none
DOI: 10.1002/jcc.1120
OpenAlex: W2008522417

Match decisions

doi merged · 1.00 · Run 18

2001 Estimation of Binding Affinities for HEPT and Nevirapine Analogs with HIV-1 Reverse Transcriptase via Monte Carlo Simulations Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1326–1329 · CV · published

1326246. Estimation of Binding Affinities for HEPT and Nevirapine Analogs with HIV-1 Reverse1327Transcriptase via Monte Carlo Simulations.1328R. C. Rizzo, J. Tirado-Rives, and W. L. Jorgensen,1329J. Med. Chem., 44, 145-154 (2001).

Institution fields

Peer reviewed: yes
First author: Rizzo
Co-authors: R. C. Rizzo; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Estimation of Binding Affinities for HEPT and Nevirapine Analogs with HIV-1 Reverse Transcriptase via Monte Carlo Simulations	Estimation of Binding Affinities for HEPT and Nevirapine Analogues with HIV-1 Reverse Transcriptase via Monte Carlo Simulations	Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations
year cv	2001	2000	2001
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm000255n	10.1021/jm000255n
first author openalex	Rizzo	Rizzo	Rizzo

Citations

OpenAlex: 94
Scholar: 134
DOI: 10.1021/jm000255n
OpenAlex: W2054111774

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/jm000405u and title on estimation of binding affinities for thrombin inhibitors.

2001 Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo Simulations Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1361–1364 · CV · published

1361253. Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo1362Simulations.1363A. C. Pierce and W. L. Jorgensen,1364J. Med. Chem., 44, 1043-1050 (2001).

Institution fields

Peer reviewed: yes
First author: Pierce
Co-authors: A. C. Pierce; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo Simulations	Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo Simulations
year cv	2001	2001
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm000405u	10.1021/jm000405u
first author openalex	Pierce	Pierce

Citations

OpenAlex: 38
Scholar: none
DOI: 10.1021/jm000405u
OpenAlex: W2046884185

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/jm000405u and title on estimation of binding affinities for thrombin inhibitors.

2001 Evaluation and Reparameterization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1366–1369 · CV · published

1366254. Evaluation and Reparameterization of the OPLS-AA Force Field for Proteins via1367Comparison with Accurate Quantum Chemical Calculations on Peptides.1368G. Kaminski, R. A. Friesner, J. Tirado-Rives and W. L. Jorgensen,1369J. Phys. Chem. B, 105, 6474-6487 (2001).

Institution fields

Peer reviewed: yes
First author: Kaminski
Co-authors: G. Kaminski; R. A. Friesner; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Evaluation and Reparameterization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides.	Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides	Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
year cv	2001	2001	2001
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp003919d	10.1021/jp003919d
first author openalex	Kaminski	Kaminski	Kaminski

Citations

OpenAlex: 4130
Scholar: 4886
DOI: 10.1021/jp003919d
OpenAlex: W2054881399

Match decisions

doi merged · 1.00 · Run 18

2001 Gas-Phase and Liquid-State Properties of Esters, Nitriles, and Nitro Compounds with the OPLS-AA Force Field Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1350–1353 · CV · published

1350251. Gas-Phase and Liquid-State Properties of Esters, Nitriles, and Nitro Compounds with the1351OPLS-AA Force Field.1352M. L. P. Price, D. Ostrovsky, and W. L. Jorgensen,1353J. Comput. Chem., 22, 1340-1352 (2001).

Institution fields

Peer reviewed: yes
First author: Price
Co-authors: M. L. P. Price; D. Ostrovsky; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Gas-Phase and Liquid-State Properties of Esters, Nitriles, and Nitro Compounds with the OPLS-AA Force Field	Gas‐phase and liquid‐state properties of esters, nitriles, and nitro compounds with the OPLS‐AA force field	Gas‐phase and liquid‐state properties of esters, nitriles, and nitro compounds with the OPLS‐AA force field
year cv	2001	2001	2001
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.1092	10.1002/jcc.1092
first author openalex	Price	Price	Price

Citations

OpenAlex: 498
Scholar: 628
DOI: 10.1002/jcc.1092
OpenAlex: W2149397893

Match decisions

doi merged · 1.00 · Run 18

2001 Improved Convergence of Binding Affinities with Free Energy Perturbation: Application to Nonpeptide Ligands with pp60src SH2 Domain Journal of Computer-Aided Molecular Design article journal CV OA GS

CV span

lines 1355–1359 · CV · published

1355252. Improved Convergence of Binding Affinities with Free Energy Perturbation:1356Application to Nonpeptide Ligands with pp60src SH2 Domain.1357D. L. Price and W. L. Jorgensen,13581359J. Comp. Aided Mol. Design, 15, 681-695 (2001).

Institution fields

Peer reviewed: yes
First author: Price
Co-authors: D. L. Price; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Improved Convergence of Binding Affinities with Free Energy Perturbation: Application to Nonpeptide Ligands with pp60src SH2 Domain	Improved convergence of binding affinities with free energy perturbation: Application to nonpeptide ligands with pp60src SH2 domain
year cv	2001	2001
venue crossref	J. Comp. Aided Mol. Design	Journal of Computer-Aided Molecular Design	Journal of Computer-Aided Molecular Design
kind cv	article	article
DOI crossref	10.1023/a:1012266200343	10.1023/a:1012266200343
first author openalex	Price	Price

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1023/a:1012266200343
OpenAlex: W1603737119

Match decisions

doi merged · 1.00 · Run 18

2001 New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1388–1391 · CV · published

1388258. New Linear Interaction Method for Binding Affinity Calculations Using a Continuum1389Solvent Model.1390R. Zhou, R. A. Friesner, A. Ghosh, R. C. Rizzo, W. L. Jorgensen, and R. M. Levy,1391J. Phys. Chem. B, 105, 10388-10397 (2001).

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: R. Zhou; R. A. Friesner; A. Ghosh; R. C. Rizzo; W. L. Jorgensen; R. M. Levy
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model.	New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model	New linear interaction method for binding affinity calculations using a continuum solvent model
year cv	2001	2001	2001
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp011480z	10.1021/jp011480z
first author openalex	Zhou	Zhou	Zhou

Citations

OpenAlex: 122
Scholar: 167
DOI: 10.1021/jp011480z
OpenAlex: W2028663708

Match decisions

doi merged · 1.00 · Run 18

2001 Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from Ab Initio and Monte Carlo Calculations. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1376–1379 · CV · published

1376256. Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from Ab Initio1377and Monte Carlo Calculations.1378E. K. Watkins and W. L. Jorgensen,1379J. Phys. Chem. A, 105, 4118-4125 (2001).

Institution fields

Peer reviewed: yes
First author: Watkins
Co-authors: E. K. Watkins; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from Ab Initio and Monte Carlo Calculations.	Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from ab Initio and Monte Carlo Calculations	Perfluoroalkanes: Conformational analysis and liquid-state properties from ab initio and Monte Carlo calculations
year cv	2001	2001	2001
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article	other
DOI crossref	10.1021/jp004071w	10.1021/jp004071w
first author openalex	Watkins	Watkins	Watkins

Citations

OpenAlex: 472
Scholar: 615
DOI: 10.1021/jp004071w
OpenAlex: W1974128000

Match decisions

doi merged · 1.00 · Run 18

2001 Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1398–1401 · CV · published

1398260. Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the1399density anomaly of liquid water by simple potential functions.1400M. W. Mahoney and W. L. Jorgensen,1401J. Chem. Phys., 115, 10758-10768 (2001).

Institution fields

Peer reviewed: yes
First author: Mahoney
Co-authors: M. W. Mahoney; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions.	Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions	Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions
year cv	2001	2001	2001
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.1418243	10.1063/1.1418243
first author openalex	Mahoney	Mahoney	Mahoney

Citations

OpenAlex: 121
Scholar: 197
DOI: 10.1063/1.1418243
OpenAlex: W2026857478

Match decisions

doi merged · 1.00 · Run 18

2001 Rapid Estimation of Electronic Degrees of Freedom in Monte Carlo Calculations for Polarizable Models of Liquid Water The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1335–1338 · CV · published

1335248. Rapid Estimation of Electronic Degrees of Freedom in Monte Carlo Calculations for1336Polarizable Models of Liquid Water.1337M. W. Mahoney and W. L. Jorgensen,1338J. Chem. Phys., 114, 9337-9349 (2001).

Institution fields

Peer reviewed: yes
First author: Mahoney
Co-authors: M. W. Mahoney; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Rapid Estimation of Electronic Degrees of Freedom in Monte Carlo Calculations for Polarizable Models of Liquid Water	Rapid estimation of electronic degrees of freedom in Monte Carlo calculations for polarizable models of liquid water
year cv	2001	2001
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref	10.1063/1.1370083	10.1063/1.1370083
first author openalex	Mahoney	Mahoney

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1063/1.1370083
OpenAlex: W2054343978

Match decisions

doi merged · 1.00 · Run 18

2001 Rationale for the Observed COX-2/COX-1 Selectivity of Celecoxib from Monte Carlo Simulations Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1340–1343 · CV · published

1340249. Rationale for the Observed COX-2/COX-1 Selectivity of Celecoxib from Monte Carlo1341Simulations.1342M. L. P. Price and W. L. Jorgensen,1343Bioorg. Med. Chem. Lett., 11, 1541-1544 (2001).

Institution fields

Peer reviewed: yes
First author: Price
Co-authors: M. L. P. Price; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Rationale for the Observed COX-2/COX-1 Selectivity of Celecoxib from Monte Carlo Simulations	Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations
year cv	2001	2001
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/s0960-894x(00)00522-9	10.1016/s0960-894x(00)00522-9
first author openalex	Price	Price

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/s0960-894x(00)00522-9
OpenAlex: W2046473794

Match decisions

doi merged · 1.00 · Run 18

2000 A five-site model for liquid water and the reproduction of the density anomaly by rigid, non-polarizable models The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1297–1300 · CV · published

1297240. A five-site model for liquid water and the reproduction of the density anomaly by rigid,1298non-polarizable models.1299M. W. Mahoney and W. L. Jorgensen,1300J. Chem. Phys., 112, 8910-8922 (2000).

Institution fields

Peer reviewed: yes
First author: Mahoney
Co-authors: M. W. Mahoney; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A five-site model for liquid water and the reproduction of the density anomaly by rigid, non-polarizable models	A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions	A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
year cv	2000	2000	2000
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.481505	10.1063/1.481505
first author openalex	Mahoney	Mahoney	Mahoney

Citations

OpenAlex: 2332
Scholar: 3006
DOI: 10.1063/1.481505
OpenAlex: W2087596773

Match decisions

doi merged · 1.00 · Run 18

2000 Analysis of Binding Affinities for Celecoxib Analogs with COX-1 and COX-2 from Docking and Monte Carlo Simulations and Insight into COX-2/COX-1 Selectivity Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1311–1314 · CV · published

1311243. Analysis of Binding Affinities for Celecoxib Analogs with COX-1 and COX-2 from1312Docking and Monte Carlo Simulations and Insight into COX-2/COX-1 Selectivity.1313M. L. Plount Price and W. L. Jorgensen,1314J. Am. Chem. Soc., 122, 9455-9466 (2000).

Institution fields

Peer reviewed: yes
First author: Plount Price
Co-authors: M. L. Plount Price; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Analysis of Binding Affinities for Celecoxib Analogs with COX-1 and COX-2 from Docking and Monte Carlo Simulations and Insight into COX-2/COX-1 Selectivity	Analysis of Binding Affinities for Celecoxib Analogues with COX-1 and COX-2 from Combined Docking and Monte Carlo Simulations and Insight into the COX-2/COX-1 Selectivity	Analysis of binding affinities for celecoxib analogues with COX-1 and COX-2 from combined docking and Monte Carlo simulations and insight into the COX-2/COX-1 selectivity
year cv	2000	2000	2000
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja001018c	10.1021/ja001018c
first author openalex	Price	Price	Price

Citations

OpenAlex: 128
Scholar: 169
DOI: 10.1021/ja001018c
OpenAlex: W2011535686

Match decisions

doi merged · 1.00 · Run 18

2000 Computational Binding Studies of Human pp60c-src SH2 Domain with a Series of Nonpeptide, Phosphophenyl-Containing Ligands Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1316–1319 · CV · published

1316244. Computational Binding Studies of Human pp60c-src SH2 Domain with a Series of1317Nonpeptide, Phosphophenyl-Containing Ligands.1318Daniel J. Price and W. L. Jorgensen,1319Bioorg. Med. Chem. Lett., 10, 2067-2070 (2000).

Institution fields

Peer reviewed: yes
First author: Price
Co-authors: Daniel J. Price; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Binding Studies of Human pp60c-src SH2 Domain with a Series of Nonpeptide, Phosphophenyl-Containing Ligands	Computational binding studies of human pp60c-src SH2 domain with a series of nonpeptide, phosphophenyl-containing ligands
year cv	2000	2000
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article
DOI crossref	10.1016/s0960-894x(00)00401-7	10.1016/s0960-894x(00)00401-7
first author openalex	Price	Price

Citations

OpenAlex: 9
Scholar: none
DOI: 10.1016/s0960-894x(00)00401-7
OpenAlex: W1991819861

Match decisions

doi merged · 1.00 · Run 18

2000 Developing a Dynamic Pharmacaphore Model for HIV-1 Integrase Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1280–1283 · CV · published

1280237. Developing a Dynamic Pharmacaphore Model for HIV-1 Integrase.1281H. A. Carlson, K. M. Masukawa, K. Rubins, F. D. Bushman, W. L. Jorgensen, R. D.1282Lins, J. M. Briggs, and J. A. McCammon,1283J. Med. Chem., 43, 2100-2114 (2000).

Institution fields

Peer reviewed: yes
First author: Carlson
Co-authors: H. A. Carlson; K. M. Masukawa; K. Rubins; F. D. Bushman; W. L. Jorgensen; R. D. Lins; J. M. Briggs; J. A. McCammon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Developing a Dynamic Pharmacaphore Model for HIV-1 Integrase	Developing a Dynamic Pharmacophore Model for HIV-1 Integrase	Developing a dynamic pharmacophore model for HIV-1 integrase
year cv	2000	2000	2000
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm990322h	10.1021/jm990322h
first author openalex	Carlson	Carlson	Carlson

Citations

OpenAlex: 259
Scholar: 359
DOI: 10.1021/jm990322h
OpenAlex: W1977173978

Match decisions

doi merged · 1.00 · Run 18

2000 Monte Carlo Calculations on HIV-1 Reverse Transcriptase Complexed with the Nonnucleoside Inhibitor 8-Cl TIBO: Contribution of the L100I and Y181C Variants to Protein Stability and Biological Activity Protein Engineering, Design and Selection article journal CV OA GS

CV span

lines 1290–1295 · CV · published

1290239. Monte Carlo Calculations on HIV-1 Reverse Transcriptase Complexed with the1291Nonnucleoside Inhibitor 8-Cl TIBO: Contribution of the L100I and Y181C Variants to1292Protein Stability and Biological Activity.1293M. B. Kroeger Smith, M. L. Lamb, J. Tirado-Rives, W. L. Jorgensen, C. J. Michejda,1294S. K. Ruby, and R. H. Smith, Jr.,1295Protein Engin., 13, 413-421 (2000).

Institution fields

Peer reviewed: yes
First author: Kroeger Smith
Co-authors: M. B. Kroeger Smith; M. L. Lamb; J. Tirado-Rives; W. L. Jorgensen; C. J. Michejda; S. K. Ruby; R. H. Smith, Jr.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Calculations on HIV-1 Reverse Transcriptase Complexed with the Nonnucleoside Inhibitor 8-Cl TIBO: Contribution of the L100I and Y181C Variants to Protein Stability and Biological Activity	Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity
year cv	2000	2000
venue crossref	Protein Engin.	Protein Engineering Design and Selection	Protein Engineering, Design and Selection
kind cv	article	article
DOI crossref	10.1093/protein/13.6.413	10.1093/protein/13.6.413
first author openalex	Smith	Smith

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1093/protein/13.6.413
OpenAlex: W2157816705

Match decisions

doi merged · 1.00 · Run 18

2000 Origin of the Inversion of the Acidity Order for Haloacetic Acids on Going from the Gas Phase to Solution The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1302–1305 · CV · published

1302241. Origin of the Inversion of the Acidity Order for Haloacetic Acids on Going from the Gas1303Phase to Solution.1304K. B. Wiberg, S. Clifford, W. L. Jorgensen, and M. J. Frisch,1305J. Phys. Chem. A, 104, 7625-7628 (2000).

Institution fields

Peer reviewed: yes
First author: Wiberg
Co-authors: K. B. Wiberg; S. Clifford; W. L. Jorgensen; M. J. Frisch
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Origin of the Inversion of the Acidity Order for Haloacetic Acids on Going from the Gas Phase to Solution	Origin of the Inversion of the Acidity Order for Haloacetic Acids on Going from the Gas Phase to Solution
year cv	2000	2000
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article
DOI crossref	10.1021/jp000944a	10.1021/jp000944a
first author openalex	Wiberg	Wiberg

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/jp000944a
OpenAlex: W1967788548

Match decisions

doi merged · 1.00 · Run 18

2000 Perspective on "Equation of State Calculations by Fast Computing Machines" Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) article journal CV OA GS

CV span

lines 1276–1278 · CV · published

1276236. Perspective on "Equation of State Calculations by Fast Computing Machines".1277W. L. Jorgensen1278Theor. Chem. Acc., 103, 225-227 (2000). (New Century Issue)

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Perspective on "Equation of State Calculations by Fast Computing Machines"	Perspective on “Equation of state calculations by fast computing machines”Perspective on "Equation of state calculations by fast computing machines"
year cv	2000	20002000
venue crossref	Theor. Chem. Acc.	Theoretical Chemistry AccountsTheoretical Chemistry Accounts	Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
kind cv	article	chapterarticle
DOI crossref	10.1007/s002149900053	10.1007/978-3-662-10421-7_1810.1007/s002149900053
first author openalex	Jorgensen	JorgensenJorgensen

Also recorded as

W2081850271 (DOI 10.1007/978-3-662-10421-7_18) · same title · 2000 Perspective on “Equation of state calculations by fast computing machines”

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1007/s002149900053
OpenAlex: W4233833434

Match decisions

classified merged · 1.00 · Run 18 resolved by the OpenAlex classification: same_title

2000 Prediction of Drug Solubility from Monte Carlo Simulations Bioorganic & Medicinal Chemistry Letters article journal CV OA GS

CV span

lines 1307–1309 · CV · published

1307242. Prediction of Drug Solubility from Monte Carlo Simulations.1308W. L. Jorgensen and E. M. Duffy,1309Bioorg. Med. Chem. Lett., 10, 1155-1158 (2000).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. M. Duffy
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of Drug Solubility from Monte Carlo Simulations	Prediction of drug solubility from Monte Carlo simulations	Prediction of drug solubility from Monte Carlo simulations
year cv	2000	2000	2000
venue crossref	Bioorg. Med. Chem. Lett.	Bioorganic & Medicinal Chemistry Letters	Bioorganic & medicinal chemistry letters	Bioorganic & Medicinal Chemistry Letters
kind cv	article	article	other
DOI crossref	10.1016/s0960-894x(00)00172-4	10.1016/s0960-894x(00)00172-4
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 371
Scholar: 496
DOI: 10.1016/s0960-894x(00)00172-4
OpenAlex: W2073887042

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1016/s0169-409x(02)00008-x and title on prediction of drug solubility from structure.

2000 Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1285–1288 · CV · published

1285238. Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane,1286Octanol, and Water.1287E. M. Duffy and W. L. Jorgensen,1288J. Am. Chem. Soc., 122, 2878-2888 (2000).

Institution fields

Peer reviewed: yes
First author: Duffy
Co-authors: E. M. Duffy; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water	Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water	Prediction of properties from simulations: free energies of solvation in hexadecane, octanol, and water
year cv	2000	2000	2000
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja993663t	10.1021/ja993663t
first author openalex	Duffy	Duffy	Duffy

Citations

OpenAlex: 503
Scholar: 616
DOI: 10.1021/ja993663t
OpenAlex: W2071180837

Match decisions

doi merged · 1.00 · Run 18

2000 Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1321–1324 · CV · published

1321245. Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva1322through Computation of Resistance Profiles.1323R. C. Rizzo, De-Ping Wang, J. Tirado-Rives, and W. L. Jorgensen,1324J. Am. Chem. Soc., 122, 12898-12900 (2000).

Institution fields

Peer reviewed: yes
First author: Rizzo
Co-authors: R. C. Rizzo; De-Ping Wang; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles	Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles
year cv	2000	2000
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja003113r	10.1021/ja003113r
first author openalex	Rizzo	Rizzo

Citations

OpenAlex: 56
Scholar: none
DOI: 10.1021/ja003113r
OpenAlex: W2054290922

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ja034308c and title on validation of a model for HIV-1 reverse transcriptase with TMC125.

1999 Computational Studies of Molecular Recognition from Alkane Dimers to Protein-Ligand Binding Crystal Engineering The Design and Application of Functional Solids chapter CV OA GS

CV span

lines 1243–1248 · CV · published

1243230. Computational Studies of Molecular Recognition from Alkane Dimers to Protein-Ligand1244Binding.1245W. L. Jorgensen, E. M. Duffy, J. W. Essex, D. L. Severance, J. F. Blake, N. A.1246McDonald, and J. Tirado-Rives,1247In “Crystal Engineering”, K. R. Seddon & M. Zaworotko, Eds.; Kluwer: Amsterdam,12481999; p 113-125.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. M. Duffy; J. W. Essex; D. L. Severance; J. F. Blake; N. A. McDonald; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: Kluwer
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Studies of Molecular Recognition from Alkane Dimers to Protein-Ligand Binding	Computational Studies of Molecular Recognition from Alkane Dimers to Protein-Ligand Complexes
year cv	1999	1999
venue crossref	Crystal Engineering		Crystal Engineering The Design and Application of Functional Solids
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-015-9105-8_7	10.1007/978-94-015-9105-8_7
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 2
Scholar: none
DOI: 10.1007/978-94-015-9105-8_7
OpenAlex: W2477973880

Match decisions

doi merged · 1.00 · Run 18

1999 Computational Studies of the Molecular Recognition of Halide Anions by Calix[4]Aromatics Supramolecular Science: Where It Is and Where It Is Going chapter CV OA GS

CV span

lines 1255–1259 · CV · published

1255232. Computational Studies of the Molecular Recognition of Halide Anions by1256Calix[4]Aromatics.1257N. A. McDonald, W. P. van Hoorn, E. M. Duffy, and W. L. Jorgensen,1258NATO ASI Ser., Ser. C, 527, 147-156 (1999).1259

Institution fields

Peer reviewed: none
First author: McDonald
Co-authors: N. A. McDonald; W. P. van Hoorn; E. M. Duffy; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Studies of the Molecular Recognition of Halide Anions by Calix[4]Aromatics	Computational Studies of the Molecular Recognition of Halide Anions by Calix[4]Aromatics
year cv	1999	1999
venue crossref	NATO ASI Ser., Ser. C		Supramolecular Science: Where It Is and Where It Is Going
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-011-4554-1_8	10.1007/978-94-011-4554-1_8
first author openalex	McDonald	McDonald

Citations

OpenAlex: 1
Scholar: none
DOI: 10.1007/978-94-011-4554-1_8
OpenAlex: W92318286

Match decisions

doi merged · 1.00 · Run 18

1999 Estimation of the Binding Affinities of FKBP12 Inhibitors Using a Linear Response Method Bioorganic & Medicinal Chemistry article journal CV OA GS

CV span

lines 1250–1253 · CV · published

1250231. Estimation of the Binding Affinities of FKBP12 Inhibitors Using a Linear Response1251Method.1252M. L. Lamb, J. Tirado-Rives, and W. L. Jorgensen,1253Bioorg. Med. Chem., 7, 851-860 (1999). (D. Barton memorial.)

Institution fields

Peer reviewed: yes
First author: Lamb
Co-authors: M. L. Lamb; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Estimation of the Binding Affinities of FKBP12 Inhibitors Using a Linear Response Method	Estimation of the binding affinities of FKBP12 inhibitors using a linear response method	Estimation of the binding affinities of FKBP12 inhibitors using a linear response method
year cv	1999	1999	1999
venue crossref	Bioorg. Med. Chem.	Bioorganic & Medicinal Chemistry	Bioorganic & medicinal chemistry	Bioorganic & Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1016/s0968-0896(99)00015-2	10.1016/s0968-0896(99)00015-2
first author openalex	Lamb	Lamb	Lamb

Citations

OpenAlex: 66
Scholar: 98
DOI: 10.1016/s0968-0896(99)00015-2
OpenAlex: W2083372216

Match decisions

doi merged · 1.00 · Run 18

1999 Host-Guest Chemistry of Rotaxanes and Catenanes: Application of a Polarizable All- Atom Force Field to Cyclobis(paraquat-p-phenylene) Complexes with Disubstituted Benzenes and Biphenyls Journal of the Chemical Society, Perkin Transactions 2 article journal CV OA GS

CV span

lines 1269–1274 · CV · published

1269235. Host-Guest Chemistry of Rotaxanes and Catenanes: Application of a Polarizable All-12701271Atom Force Field to Cyclobis(paraquat-p-phenylene) Complexes with Disubstituted1272Benzenes and Biphenyls.1273G. A. Kaminski and W. L. Jorgensen,1274Perkin Trans. 2, 2365-2376 (1999). (R. Squires memorial.)

Institution fields

Peer reviewed: yes
First author: Kaminski
Co-authors: G. A. Kaminski; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Host-Guest Chemistry of Rotaxanes and Catenanes: Application of a Polarizable All- Atom Force Field to Cyclobis(paraquat-p-phenylene) Complexes with Disubstituted Benzenes and Biphenyls	Host–guest chemistry of rotaxanes and catenanes: application of a polarizable all-atom force field to cyclobis(paraquat-p-phenylene) complexes with disubstituted benzenes and biphenyls †	Host–guest chemistry of rotaxanes and catenanes: application of a polarizable all-atom force field to cyclobis(paraquat-p-phenylene) complexes with disubstituted …
year cv	1999	1999	1999
venue crossref	Perkin Trans. 2	Journal of the Chemical Society Perkin Transactions 2	Journal of the Chemical Society, Perkin Transactions	Journal of the Chemical Society, Perkin Transactions 2
kind cv	article	article	other
DOI crossref	10.1039/a905160k	10.1039/a905160k
first author openalex	Kaminski	Kaminski	Kaminski

Citations

OpenAlex: 84
Scholar: 116
DOI: 10.1039/a905160k
OpenAlex: W2054719362

Match decisions

doi merged · 1.00 · Run 18

1999 OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1260–1262 · CV · published

1260233. OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem.1261R. C. Rizzo and W. L. Jorgensen,1262J. Am. Chem. Soc., 121, 4827-4836 (1999).

Institution fields

Peer reviewed: yes
First author: Rizzo
Co-authors: R. C. Rizzo; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem	OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem	OPLS all-atom model for amines: Resolution of the amine hydration problem
year cv	1999	1999	1999
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja984106u	10.1021/ja984106u
first author openalex	Rizzo	Rizzo	Rizzo

Citations

OpenAlex: 650
Scholar: 810
DOI: 10.1021/ja984106u
OpenAlex: W1994055814

Match decisions

doi merged · 1.00 · Run 18

1999 Selective Anion Complexation by a Calix[4]pyrrole Investigated by Monte Carlo Simulations The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 1264–1267 · CV · published

1264234. Selective Anion Complexation by a Calix[4]pyrrole Investigated by Monte Carlo1265Simulations.1266W. P. van Hoorn and W. L. Jorgensen,1267J. Org. Chem., 64, 7439-7444 (1999).

Institution fields

Peer reviewed: yes
First author: van Hoorn
Co-authors: W. P. van Hoorn; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Selective Anion Complexation by a Calix[4]pyrrole Investigated by Monte Carlo Simulations	Selective Anion Complexation by a Calix[4]pyrrole Investigated by Monte Carlo Simulations
year cv	1999	1999
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo9907437	10.1021/jo9907437
first author openalex	Hoorn	van Hoorn

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1021/jo9907437
OpenAlex: W1974986736

Match decisions

doi merged · 1.00 · Run 18

1999 Solvent as Catalyst - Computational Studies of Organic Chemistry in Solution ACS Symposium Series chapter CV OA GS needs review

CV span

lines 1238–1241 · CV · published

1238229. Solvent as Catalyst - Computational Studies of Organic Chemistry in Solution.1239D. Lim, C. Jenson, M. P. Repasky, and W. L. Jorgensen,1240In Transition State Modeling for Catalysis, D. Truhlar and K. Morokuma, Eds.,1241ACS Symposium Ser., 721, 74-85 (1999).

Institution fields

Peer reviewed: none
First author: Lim
Co-authors: D. Lim; C. Jenson; M. P. Repasky; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Solvent as Catalyst - Computational Studies of Organic Chemistry in Solution	Solvent as Catalyst: Computational Studies of Organic Reactions in Solution
year cv	1999	1999
venue crossref	Transition State Modeling for Catalysis, ACS Symposium Ser.	ACS symposium series	ACS Symposium Series
kind cv	chapter	other
DOI crossref	10.1021/bk-1999-0721.ch006	10.1021/bk-1999-0721.ch006
first author openalex	Lim	Lim

Citations

OpenAlex: 8
Scholar: none
DOI: 10.1021/bk-1999-0721.ch006
OpenAlex: W4230477930

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/bk-1999-0721.ch006 and title on solvent as catalyst.
doi merged · 1.00 · Run 18

1998 Ab Initio and Monte Carlo Study of Solvent Effects on a 1,3-Dipolar Cycloaddition Faraday Discussions article journal CV OA GS

CV span

lines 1228–1230 · CV · published

1228227. Ab Initio and Monte Carlo Study of Solvent Effects on a 1,3-Dipolar Cycloaddition.1229M. P. Repasky and W. L. Jorgensen,1230J. Chem. Soc., Faraday Discuss., 110, 379-389 (1998).

Institution fields

Peer reviewed: yes
First author: Repasky
Co-authors: M. P. Repasky; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio and Monte Carlo Study of Solvent Effects on a 1,3-Dipolar Cycloaddition	Ab initio and Monte Carlo study of solvent eÜects on a 1,3–dipolar cycloaddition
year cv	1998	1998
venue crossref	J. Chem. Soc., Faraday Discuss.	Faraday Discussions	Faraday Discussions
kind cv	article	article
DOI crossref	10.1039/a802427h	10.1039/a802427h
first author openalex	Repasky	Repasky

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1039/a802427h
OpenAlex: W2073082151

Match decisions

doi merged · 1.00 · Run 18

1998 Ab Initio Calculations on Hydrogen-Bonded Complexes of Small Organic Molecules with Water The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1202–1205 · CV · published

1202222. Ab Initio Calculations on Hydrogen-Bonded Complexes of Small Organic Molecules1203with Water.1204P. R. Rablen, J. W. Lockman, and W. L. Jorgensen,1205J. Phys. Chem. A, 102, 3782-3797 (1998).

Institution fields

Peer reviewed: yes
First author: Rablen
Co-authors: P. R. Rablen; J. W. Lockman; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Ab Initio Calculations on Hydrogen-Bonded Complexes of Small Organic Molecules with Water	Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water	Ab initio study of hydrogen-bonded complexes of small organic molecules with water
year cv	1998	1998	1998
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article	other
DOI crossref	10.1021/jp980708o	10.1021/jp980708o
first author openalex	Rablen	Rablen	Rablen

Citations

OpenAlex: 412
Scholar: 507
DOI: 10.1021/jp980708o
OpenAlex: W1977677529

Match decisions

doi merged · 1.00 · Run 18

1998 A QM/MM Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1192–1195 · CV · published

1192220. A QM/MM Method Based on CM1A Charges: Applications to Solvent Effects on1193Organic Equilibria and Reactions.1194G. A. Kaminski and W. L. Jorgensen,1195J. Phys. Chem. B, 102, 1787-1796 (1998).

Institution fields

Peer reviewed: yes
First author: Kaminski
Co-authors: G. A. Kaminski; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A QM/MM Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions	A Quantum Mechanical and Molecular Mechanical Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions	A quantum mechanical and molecular mechanical method based on CM1A charges: applications to solvent effects on organic equilibria and reactions
year cv	1998	1998	1998
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp980314x	10.1021/jp980314x
first author openalex	Kaminski	Kaminski	Kaminski

Citations

OpenAlex: 114
Scholar: 143
DOI: 10.1021/jp980314x
OpenAlex: W2095377500

Match decisions

doi merged · 1.00 · Run 18

1998 BOSS - Biochemical and Organic Simulation System Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.; Wiley: New York, 1998; Vol. 5 chapter CV OA GS

CV span

lines 1162–1165 · CV · published

1162214. BOSS - Biochemical and Organic Simulation System.1163W. L. Jorgensen,1164Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.;1165Wiley: New York, 1998; Vol. 5, p 3281-3285.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	BOSS - Biochemical and Organic Simulation System
year cv	1998
venue cv	Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.; Wiley: New York, 1998; Vol. 5
kind cv	chapter
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1998 ChemEdit - An Interactive Editor for Chemists Encyclopedia of Computational Chemistry volume 1998 Encyclopedia of Computational Chemistryvolume 1998 Encyclopedia of computational chemistryvolume 2004 Encyclopedia of Computational Chemistry chapter journal CV OA GS

CV span

lines 1167–1170 · CV · published

1167215. ChemEdit - An Interactive Editor for Chemists.1168D. Lim and W. L. Jorgensen,1169Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.;1170Wiley: New York, 1998; Vol. 5, p 3295-3302.

Institution fields

Peer reviewed: none
First author: Lim
Co-authors: D. Lim; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: Wiley
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	ChemEdit - An Interactive Editor for Chemists
year cv	1998
venue cv	Encyclopedia of Computational Chemistry
kind cv	chapter
first author cv	Lim

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1998 Computation of Free Energy Changes in Solution Encyclopedia of Computational Chemistry chapter journal CV OA GS

CV span

lines 1187–1190 · CV · published

1187219. Computation of Free Energy Changes in Solution.1188W. L. Jorgensen,1189Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.;1190Wiley: New York, 1998; Vol. 2, p 1061-1070.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Computation of Free Energy Changes in Solution	Free Energy Changes in Solution
year cv	1998	1998
venue crossref	Encyclopedia of Computational Chemistry	Encyclopedia of Computational Chemistry
kind cv	chapter	chapter
DOI crossref	10.1002/0470845015.cfa009	10.1002/0470845015.cfa009
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1002/0470845015.cfa009
OpenAlex: W1480321310

Match decisions

doi merged · 1.00 · Run 18

1998 Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and in Solution: Ab Initio Calculations and Monte Carlo Simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1217–1220 · CV · published

1217225. Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and1218in Solution: Ab Initio Calculations and Monte Carlo Simulations.1219D. J. Price, J. D. Roberts, and W. L. Jorgensen,1220J. Am. Chem. Soc., 120, 9672-9679 (1998).

Institution fields

Peer reviewed: yes
First author: Price
Co-authors: D. J. Price; J. D. Roberts; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and in Solution: Ab Initio Calculations and Monte Carlo Simulations	Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and in Solution: Ab Initio Calculations and Monte Carlo Simulations
year cv	1998	1998
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja9812397	10.1021/ja9812397
first author openalex	Price	Price

Citations

OpenAlex: 59
Scholar: none
DOI: 10.1021/ja9812397
OpenAlex: W2032464464

Match decisions

doi merged · 1.00 · Run 18

1998 Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyridine and Diazenes Journal of Molecular Structure: THEOCHEM article journal CV OA GS

CV span

lines 1138–1142 · CV · published

1138209. Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyridine1139and Diazenes.1140W. L. Jorgensen and N. A. McDonald1141J. Mol. Struct. (Theochem.), 424, 145-155 (1998). (L. Salem Issue.)1142

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; N. A. McDonald
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyridine and Diazenes	Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes	Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes
year cv	1998	1998	1998
venue crossref	J. Mol. Struct. (Theochem.)	Journal of Molecular Structure THEOCHEM	Journal of Molecular Structure: THEOCHEM	Journal of Molecular Structure: THEOCHEM
kind cv	article	article	other
DOI crossref	10.1016/s0166-1280(97)00237-6	10.1016/s0166-1280(97)00237-6
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 332
Scholar: 332
DOI: 10.1016/s0166-1280(97)00237-6
OpenAlex: W2026590485

Match decisions

gemini merged · 1.00 · Run 18 The records share the DOI 10.1021/jp981200o and title on all-atom force field for heterocycles (pyrrole, furan, etc.).

1998 Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1222–1226 · CV · published

1222226. Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole,1223Furan, Diazoles, and Oxazoles.1224W. L. Jorgensen and N. A. McDonald,12251226J. Phys. Chem. B, 102, 8049-8059 (1998).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; N. A. McDonald
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles	Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles	Development of an all-atom force field for heterocycles. Properties of liquid pyrrole, furan, diazoles, and oxazoles
year cv	1998	1998	1998
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp981200o	10.1021/jp981200o
first author openalex	Jorgensen	McDonald	McDonald

Citations

OpenAlex: 326
Scholar: 413
DOI: 10.1021/jp981200o
OpenAlex: W2054357498

Match decisions

gemini merged · 1.00 · Run 18 The records share the DOI 10.1021/jp981200o and title on all-atom force field for heterocycles (pyrrole, furan, etc.).

1998 Investigations of Neurotrophic Inhibitors of FK506 Binding Protein via Monte Carlo Simulations Journal of Medicinal Chemistry article journal CV OA GS needs review

CV span

lines 1212–1215 · CV · published

1212224. Investigations of Neurotrophic Inhibitors of FK506 Binding Protein via Monte Carlo1213Simulations.1214M. L. Lamb and W. L. Jorgensen,1215J. Med. Chem., 41, 3928-3939 (1998).

Institution fields

Peer reviewed: yes
First author: Lamb
Co-authors: M. L. Lamb; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Investigations of Neurotrophic Inhibitors of FK506 Binding Protein via Monte Carlo Simulations	Investigations of Neurotrophic Inhibitors of FK506 Binding Protein via Monte Carlo Simulations
year cv	1998	1998
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of Medicinal Chemistry
kind cv	article	article
DOI crossref	10.1021/jm980062o	10.1021/jm980062o
first author openalex	Lamb	Lamb

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/jm980062o
OpenAlex: W2056946622

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups an encyclopedia entry on Monte Carlo simulations with a specific journal paper on FK506 binding protein.
doi merged · 1.00 · Run 18

1998 Monte Carlo Investigations of Selective Anion Complexation by a Bis(phenylurea)-p- tert-Butylcalix(4]arene Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1207–1210 · CV · published

1207223. Monte Carlo Investigations of Selective Anion Complexation by a Bis(phenylurea)-p-1208tert-Butylcalix(4]arene.1209N. A. McDonald, E. M. Duffy, and W. L. Jorgensen,1210J. Am. Chem. Soc., 120, 5104-5111 (1998).

Institution fields

Peer reviewed: yes
First author: McDonald
Co-authors: N. A. McDonald; E. M. Duffy; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Investigations of Selective Anion Complexation by a Bis(phenylurea)-p- tert-Butylcalix(4]arene	Monte Carlo Investigations of Selective Anion Complexation by a Bis(phenylurea) p-tert-Butylcalix[4]arene
year cv	1998	1998
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja980140x	10.1021/ja980140x
first author openalex	McDonald	McDonald

Citations

OpenAlex: 63
Scholar: none
DOI: 10.1021/ja980140x
OpenAlex: W2023433677

Match decisions

doi merged · 1.00 · Run 18

1998 Monte Carlo Simulations of Liquids Encyclopedia of Computational Chemistry chapter journal CV OA GS needs review

CV span

lines 1177–1180 · CV · published

1177217. Monte Carlo Simulations of Liquids.1178W. L. Jorgensen,1179Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.;1180Wiley: New York, 1998; Vol. 3, p 1754-1763.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Monte Carlo Simulations of Liquids
year cv	1998
venue cv	Encyclopedia of Computational Chemistry
kind cv	chapter
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups an encyclopedia entry on Monte Carlo simulations with a specific journal paper on FK506 binding protein.

1998 OPLS Force Fields Encyclopedia of Computational Chemistry chapter journal CV OA GS

CV span

lines 1172–1175 · CV · published

1172216. OPLS Force Fields.1173W. L. Jorgensen,1174Encyclopedia of Computational Chemistry, P. v.R. Schleyer, Ed.;1175Wiley: New York, 1998; Vol. 3, p 1986-1989.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	OPLS Force Fields	OPLS Force Fields	OPLS force fields
year cv	1998	1998	1998
venue crossref	Encyclopedia of Computational Chemistry	Encyclopedia of Computational Chemistry	Encyclopedia of computational chemistry
kind cv	chapter	chapter	other
DOI crossref	10.1002/0470845015.coa002s	10.1002/0470845015.coa002s
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 33
Scholar: 126
DOI: 10.1002/0470845015.coa002s
OpenAlex: W1526373053

Match decisions

doi merged · 1.00 · Run 18

1998 Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1232–1236 · CV · published

1232228. Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase1233Using Monte Carlo Simulations in a Linear Response Method.1234R. H. Smith, Jr., W. L. Jorgensen, J. Tirado-Rives, M. L. Lamb, P. A. J. Janssen, C. J.1235Michejda, and M. B. Kroeger Smith,1236J. Med. Chem., 41, 5272-5286 (1998).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: R. H. Smith, Jr.; W. L. Jorgensen; J. Tirado-Rives; M. L. Lamb; P. A. J. Janssen; C. J. Michejda; M. B. Kroeger Smith
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method	Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method	Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method
year cv	1998	1998	1998
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm9804174	10.1021/jm9804174
first author openalex	Smith	Smith	Smith

Citations

OpenAlex: 80
Scholar: 120
DOI: 10.1021/jm9804174
OpenAlex: W2045114327

Match decisions

doi merged · 1.00 · Run 18

1998 Preorganized Metallomacrocycles: Improved Binding and Selectivity of Ammonia over Primary Amines The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 1197–1200 · CV · published

1197221. Preorganized Metallomacrocycles: Improved Binding and Selectivity of Ammonia over1198Primary Amines.1199F. C. J. M. van Veggel, H. G. Noorlander-Bunt, W. L. Jorgensen and D. N. Reinhoudt,1200J. Org. Chem., 63, 3554-3559 (1998).

Institution fields

Peer reviewed: yes
First author: van Veggel
Co-authors: F. C. J. M. van Veggel; H. G. Noorlander-Bunt; W. L. Jorgensen; D. N. Reinhoudt
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Preorganized Metallomacrocycles: Improved Binding and Selectivity of Ammonia over Primary Amines	Preorganized Metallomacrocycles: Improved Binding and Selectivity of NH3 over Primary Amines
year cv	1998	1998
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo971943q	10.1021/jo971943q
first author openalex	Veggel	van Veggel

Citations

OpenAlex: 9
Scholar: none
DOI: 10.1021/jo971943q
OpenAlex: W1981611380

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo971943q and title on preorganized metallomacrocycles.
doi merged · 1.00 · Run 18

1998 Temperature Dependence of TIP3P, SPC, and TIP4P Water from NPT Monte Carlo Simulations: Seeking a Temperature of Maximum Density Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1182–1185 · CV · published

1182218. Temperature Dependence of TIP3P, SPC, and TIP4P Water from NPT Monte Carlo1183Simulations: Seeking a Temperature of Maximum Density.1184W. L. Jorgensen and C. Jenson,1185J. Comput. Chem., 19 , 1179-1186 (1998). (N. L. Allinger Issue.)

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; C. Jenson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Temperature Dependence of TIP3P, SPC, and TIP4P Water from NPT Monte Carlo Simulations: Seeking a Temperature of Maximum Density	Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density	Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density
year cv	1998	1998	1998
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/(sici)1096-987x(19980730)19:10<1179::aid-jcc6>3.0.co;2-j	10.1002/(sici)1096-987x(19980730)19:10<1179::aid-jcc6>3.0.co;2-j
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 466
Scholar: 573
DOI: 10.1002/(sici)1096-987x(19980730)19:10<1179::aid-jcc6>3.0.co;2-j
OpenAlex: W2084482408

Match decisions

doi merged · 1.00 · Run 18

1997 Approaches to Protein-Ligand Binding from Computer Simulations Biomolecular Structure and Dynamics chapter CV OA GS

CV span

lines 1120–1123 · CV · published

1120205. Approaches to Protein-Ligand Binding from Computer Simulations.1121W. L. Jorgensen, E. M. Duffy, J. W. Essex, D. L. Severance, J. F. Blake, D. K. Jones-1122Hertzog, M. L. Lamb, and J. Tirado-Rives1123NATO ASI Ser., Ser. E, 342, 21-34 (1997).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. M. Duffy; J. W. Essex; D. L. Severance; J. F. Blake; D. K. Jones- Hertzog; M. L. Lamb; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Approaches to Protein-Ligand Binding from Computer Simulations	Approaches to Protein-Ligand Binding from Computer Simulations
year cv	1997	1997
venue crossref	NATO ASI Ser., Ser. E, 342		Biomolecular Structure and Dynamics
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-011-5484-0_2	10.1007/978-94-011-5484-0_2
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1007/978-94-011-5484-0_2
OpenAlex: W135042725

Match decisions

doi merged · 1.00 · Run 18

1997 Binding Affinities for Sulfonamide Inhibitors with HumanThrombin using Monte Carlo Simulations with a Linear Response Method Journal of Medicinal Chemistry article journal CV OA GS

CV span

lines 1107–1110 · CV · published

1107202. Binding Affinities for Sulfonamide Inhibitors with HumanThrombin using Monte Carlo1108Simulations with a Linear Response Method.1109D. K. Jones-Hertzog and W. L. Jorgensen,1110J. Med. Chem., 40, 1539-1549 (1997).

Institution fields

Peer reviewed: yes
First author: Jones-Hertzog
Co-authors: D. K. Jones-Hertzog; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Binding Affinities for Sulfonamide Inhibitors with HumanThrombin using Monte Carlo Simulations with a Linear Response Method	Binding Affinities for Sulfonamide Inhibitors with Human Thrombin Using Monte Carlo Simulations with a Linear Response Method	Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method
year cv	1997	1997	1997
venue crossref	J. Med. Chem.	Journal of Medicinal Chemistry	Journal of medicinal chemistry	Journal of Medicinal Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jm960684e	10.1021/jm960684e
first author openalex	Jones-Hertzog	Jones-Hertzog	Jones-Hertzog

Citations

OpenAlex: 161
Scholar: 221
DOI: 10.1021/jm960684e
OpenAlex: W2066583787

Match decisions

doi merged · 1.00 · Run 18

1997 Computational Approaches to Molecular Recognition Current Opinion in Chemical Biology article journal CV OA GS

CV span

lines 1158–1161 · CV · published

1158213. Computational Approaches to Molecular Recognition.1159M. L. Lamb and W. L. Jorgensen,1160Curr. Opinion Chem. Biol., 1, 449-457 (1997).1161

Institution fields

Peer reviewed: yes
First author: Lamb
Co-authors: M. L. Lamb; W. L. Jorgensen
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Computational Approaches to Molecular Recognition	Computational approaches to molecular recognition	Computational approaches to molecular recognition
year cv	1997	1997	1997
venue crossref	Curr. Opinion Chem. Biol.	Current Opinion in Chemical Biology	Current opinion in chemical biology	Current Opinion in Chemical Biology
kind cv	article	review	other
DOI crossref	10.1016/s1367-5931(97)80038-5	10.1016/s1367-5931(97)80038-5
first author openalex	Lamb	Lamb	Lamb

Citations

OpenAlex: 126
Scholar: 201
DOI: 10.1016/s1367-5931(97)80038-5
OpenAlex: W2066122522

Match decisions

doi merged · 1.00 · Run 18

1997 Computational Binding Studies of Orthogonal Cyclosporin-Cyclophilin Pairs Angewandte Chemie International Edition in English article journal CV OA GS

CV span

lines 1125–1129 · CV · published

1125206. Computational Binding Studies of Orthogonal Cyclosporin-Cyclophilin Pairs.1126A. C. Pierce and W. L. Jorgensen1127Angew. Chem., 109, 1595-1598 (1997).1128Angew. Chem. Int. Ed. Engl., 36, 1466-1469 (1997).1129

Institution fields

Peer reviewed: yes
First author: Pierce
Co-authors: A. C. Pierce; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Binding Studies of Orthogonal Cyclosporin-Cyclophilin Pairs	Computational Binding Studies of Orthogonal Cyclosporin‐Cyclophilin Pairs
year cv	1997	1997
venue crossref	Angew. Chem.	Angewandte Chemie International Edition in English	Angewandte Chemie International Edition in English
kind cv	article	article
DOI crossref	10.1002/anie.199714661	10.1002/anie.199714661
first author openalex	Pierce	Pierce

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1002/anie.199714661
OpenAlex: W1990914937

Match decisions

doi merged · 1.00 · Run 18

1997 Computational Investigations of Carbenium Ion Reactions Relevant to Sterol Biosynthesis Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1148–1152 · CV · published

1148211. Computational Investigations of Carbenium Ion Reactions Relevant to Sterol1149Biosynthesis.1150C. Jenson and W. L. Jorgensen,1151J. Am. Chem. Soc., 118, 10846-10854 (1997).1152

Institution fields

Peer reviewed: yes
First author: Jenson
Co-authors: C. Jenson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Computational Investigations of Carbenium Ion Reactions Relevant to Sterol Biosynthesis	Computational Investigations of Carbenium Ion Reactions Relevant to Sterol Biosynthesis	Computational investigations of carbenium ion reactions relevant to sterol biosynthesis
year cv	1997	1997	1997
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja9714245	10.1021/ja9714245
first author openalex	Jenson	Jenson	Jenson

Citations

OpenAlex: 116
Scholar: 151
DOI: 10.1021/ja9714245
OpenAlex: W1977315314

Match decisions

doi merged · 1.00 · Run 18

1997 Elucidation of Transition Structures and Solvent Effects for Epoxidations by Dimethyldioxirane Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1153–1157 · CV · published

1153212. Elucidation of Transition Structures and Solvent Effects for Epoxidations1154by Dimethyldioxirane.1155C. Jenson, J. Liu, K. N. Houk, and W. L. Jorgensen,1156J. Am. Chem. Soc., 119, 12982-12983 (1997).1157

Institution fields

Peer reviewed: yes
First author: Jenson
Co-authors: C. Jenson; J. Liu; K. N. Houk; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Elucidation of Transition Structures and Solvent Effects for Epoxidations by Dimethyldioxirane	Elucidation of Transition Structures and Solvent Effects for Epoxidation by Dimethyldioxirane	Elucidation of transition structures and solvent effects for epoxidation by dimethyldioxirane
year cv	1997	1997	1997
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja971766a	10.1021/ja971766a
first author openalex	Jenson	Jenson	Jenson

Citations

OpenAlex: 79
Scholar: 108
DOI: 10.1021/ja971766a
OpenAlex: W2051525357

Match decisions

doi merged · 1.00 · Run 18

1997 Energetics of Cation-Olefin Addition in the Gas Phase and in Solution Synlett article journal CV OA GS

CV span

lines 1112–1115 · CV · published

1112203. Energetics of Cation-Olefin Addition in the Gas Phase and in Solution.1113C. Jenson and W. L. Jorgensen,1114Synlett, 518-520 (1997). (E. J. Corey Issue)1115

Institution fields

Peer reviewed: yes
First author: Jenson
Co-authors: C. Jenson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Energetics of Cation-Olefin Addition in the Gas Phase and in Solution	Energetics of Cation-Olefin Addition in the Gas Phase and in Solution
year cv	1997	1997
venue crossref	Synlett	Synlett
kind cv	article	article
DOI crossref	10.1055/s-1997-6119	10.1055/s-1997-6119
first author openalex	Jenson	Jenson

Citations

OpenAlex: 4
Scholar: none
DOI: 10.1055/s-1997-6119
OpenAlex: W2334202569

Match decisions

doi merged · 1.00 · Run 18

1997 Free Energies of Solvation in Chloroform and Water from a Linear Response Approach Journal of Physical Organic Chemistry article journal CV OA GS

CV span

lines 1116–1119 · CV · published

1116204. Free Energies of Solvation in Chloroform and Water from a Linear Response Approach.1117N. A. McDonald, H. A. Carlson, and W. L. Jorgensen1118J. Phys. Org. Chem., 10, 563-576 (1997). (F. G. Bordwell Issue)1119

Institution fields

Peer reviewed: yes
First author: McDonald
Co-authors: N. A. McDonald; H. A. Carlson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Free Energies of Solvation in Chloroform and Water from a Linear Response Approach	Free energies of solvation in chloroform and water from a linear response approach	Free energies of solvation in chloroform and water from a linear response approach
year cv	1997	1997	1997
venue crossref	J. Phys. Org. Chem.	Journal of Physical Organic Chemistry	Journal of physical organic chemistry	Journal of Physical Organic Chemistry
kind cv	article	article	other
DOI crossref	10.1002/(sici)1099-1395(199707)10:7<563::aid-poc912>3.0.co;2-0	10.1002/(sici)1099-1395(199707)10:7<563::aid-poc912>3.0.co;2-0
first author openalex	McDonald	McDonald	McDonald

Citations

OpenAlex: 96
Scholar: 117
DOI: 10.1002/(sici)1099-1395(199707)10:7<563::aid-poc912>3.0.co;2-0
OpenAlex: W2025540327

Match decisions

doi merged · 1.00 · Run 18

1997 Molecular Dynamics of the Unfolding of Barnase in Water and 8M Aqueous Urea Biochemistry article journal CV OA GS

CV span

lines 1130–1133 · CV · published

1130207. Molecular Dynamics of the Unfolding of Barnase in Water and 8M Aqueous Urea.1131J. Tirado-Rives, M. Orozco, and W. L. Jorgensen1132Biochemistry, 36, 7313-7329 (1997).1133

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; M. Orozco; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Molecular Dynamics of the Unfolding of Barnase in Water and 8M Aqueous Urea	Molecular Dynamics Simulations of the Unfolding of Barnase in Water and 8 M Aqueous Urea	Molecular dynamics simulations of the unfolding of barnase in water and 8 M aqueous urea
year cv	1997	1997	1997
venue crossref	Biochemistry	Biochemistry	Biochemistry
kind cv	article	article	other
DOI crossref	10.1021/bi970096i	10.1021/bi970096i
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 180
Scholar: 229
DOI: 10.1021/bi970096i
OpenAlex: W2050956052

Match decisions

doi merged · 1.00 · Run 18

1997 Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin-Benzamidine Complexes via Free Energy Perturbations The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1143–1147 · CV · published

1143210. Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin-Benzamidine1144Complexes via Free Energy Perturbations.1145J. W. Essex, D. L. Severance, J. Tirado-Rives, and W. L. Jorgensen,1146J. Phys. Chem., 101, 9663-9669 (1997).1147

Institution fields

Peer reviewed: yes
First author: Essex
Co-authors: J. W. Essex; D. L. Severance; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin-Benzamidine Complexes via Free Energy Perturbations	Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations	Monte Carlo simulations for proteins: Binding affinities for trypsin− benzamidine complexes via free-energy perturbations
year cv	1997	1997	1997
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp971990m	10.1021/jp971990m
first author openalex	Essex	Essex	Essex

Citations

OpenAlex: 97
Scholar: 137
DOI: 10.1021/jp971990m
OpenAlex: W2124060532

Match decisions

doi merged · 1.00 · Run 18

1997 The OPLS All-Atom Force Field for Carbohydrates Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1134–1137 · CV · published

1134208. The OPLS All-Atom Force Field for Carbohydrates.1135W. Damm, A. Frontera, J. Tirado-Rives, and W. L. Jorgensen1136J. Comput. Chem., 18 , 1955-1970 (1997).1137

Institution fields

Peer reviewed: yes
First author: Damm
Co-authors: W. Damm; A. Frontera; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The OPLS All-Atom Force Field for Carbohydrates	OPLS all-atom force field for carbohydratesOPLS all‐atom force field for carbohydrates	OPLS all‐atom force field for carbohydrates
year cv	1997	19971997	1997
venue crossref	J. Comput. Chem.	Journal of Computational ChemistryJournal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	articlearticle	other
DOI crossref	10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.0.co;2-l	10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.0.co;2-l10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.3.co;2-a
first author openalex	Damm	DammDamm	Damm

Also recorded as

W4240523659 (DOI 10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.3.co;2-a) · same title · 1997 OPLS all‐atom force field for carbohydrates

Citations

OpenAlex: 673
Scholar: 954
DOI: 10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.0.co;2-l
OpenAlex: W2012907468

Match decisions

classified merged · 1.00 · Run 18 resolved by the OpenAlex classification: same_title

1997 The Origin of Self-Assembling Ternary Complex Stabilities and Template Ratios in Carceplex Formation Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1081–1085 · CV · published

1081197. The Origin of Self-Assembling Ternary Complex Stabilities and Template Ratios in1082Carceplex Formation.1083K. Nakamura, C. Sheu, A. E. Constable, K. N. Houk, J. C. Sherman, R. G. Chapman,1084and W. L. Jorgensen,1085J. Am. Chem. Soc., 119, 4321-4322 (1997).

Institution fields

Peer reviewed: yes
First author: Nakamura
Co-authors: K. Nakamura; C. Sheu; A. E. Constable; K. N. Houk; J. C. Sherman; R. G. Chapman; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Origin of Self-Assembling Ternary Complex Stabilities and Template Ratios in Carceplex Formation	Self-Assembling Ternary Complex Stabilities and Template Ratios in Carceplex Formation
year cv	1997	1997
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja9623065	10.1021/ja9623065
first author openalex	Nakamura	Nakamura

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1021/ja9623065
OpenAlex: W2001763409

Match decisions

doi merged · 1.00 · Run 18

1996 Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1097–1100 · CV · published

1097200. Development and Testing of the OPLS All-Atom Force Field on Conformational1098Energetics and Properties of Organic Liquids.1099W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives,1100J. Am. Chem. Soc., 118, 11225-11236 (1996).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. S. Maxwell; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids	Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids	Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
year cv	1996	1996	1996
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the american chemical society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja9621760	10.1021/ja9621760
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 15592
Scholar: 18714
DOI: 10.1021/ja9621760
OpenAlex: W2051381895

Match decisions

doi merged · 1.00 · Run 18

1996 Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion Physical Supramolecular Chemistry chapter CV OA GS

CV span

lines 1073–1075 · CV · published

1073195. Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion.1074W. L. Jorgensen, W. Damm, A. Frontera, and M. L. Lamb,1075NATO ASI Ser., Ser. C, 485, 115-126 (1996).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; W. Damm; A. Frontera; M. L. Lamb
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion	Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion
year cv	1996	1996
venue crossref	NATO ASI Ser., Ser. C, 485		Physical Supramolecular Chemistry
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-009-0317-3_8	10.1007/978-94-009-0317-3_8
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1007/978-94-009-0317-3_8
OpenAlex: W2504002875

Match decisions

doi merged · 1.00 · Run 18

1996 Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1091–1095 · CV · published

1091199. Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate10921093Rearrangement.1094H. A. Carlson and W. L. Jorgensen,1095J. Am. Chem. Soc., 118, 8475-8484 (1996).

Institution fields

Peer reviewed: yes
First author: Carlson
Co-authors: H. A. Carlson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement	Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement
year cv	1996	1996
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja961500o	10.1021/ja961500o
first author openalex	Carlson	Carlson

Citations

OpenAlex: 56
Scholar: none
DOI: 10.1021/ja961500o
OpenAlex: W2066777144

Match decisions

doi merged · 1.00 · Run 18

1996 Monte Carlo vs. Molecular Dynamics for Conformational Sampling The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1077–1079 · CV · published

1077196. Monte Carlo vs. Molecular Dynamics for Conformational Sampling.1078W. L. Jorgensen and J. Tirado-Rives,1079J. Phys. Chem., 100, 14508-14513 (1996).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo vs. Molecular Dynamics for Conformational Sampling	Monte Carlo vs Molecular Dynamics for Conformational SamplingMonte Carlo vs Molecular Dynamics for Conformational Sampling	Monte Carlo vs molecular dynamics for conformational sampling
year cv	1996	19961997	1996
venue crossref	J. Phys. Chem.	The Journal of Physical ChemistryThe Journal of Physical Chemistry A	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	articlearticle	other
DOI crossref	10.1021/jp960880x	10.1021/jp960880x10.1021/jp9702917
first author openalex	Jorgensen	JorgensenJorgensen	Jorgensen

Also recorded as

W2225187044 (DOI 10.1021/jp9702917) · same title · 1997 Monte Carlo vs Molecular Dynamics for Conformational Sampling

Citations

OpenAlex: 176
Scholar: 277
DOI: 10.1021/jp960880x
OpenAlex: W2051093082

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/jp960880x and title on Monte Carlo vs. molecular dynamics for conformational sampling.

1996 Performance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling Organic Liquids The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1102–1105 · CV · published

1102201. Performance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling1103Organic Liquids.1104G. Kaminski and W. L. Jorgensen,1105J. Phys. Chem., 100, 18010-18013 (1996).

Institution fields

Peer reviewed: yes
First author: Kaminski
Co-authors: G. Kaminski; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Performance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling Organic Liquids	Performance of the AMBER94, MMFF94, and OPLS-AA Force Fields for Modeling Organic Liquids	Performance of the AMBER94, MMFF94, and OPLS-AA force fields for modeling organic liquids
year cv	1996	1996	1996
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jp9624257	10.1021/jp9624257
first author openalex	Kaminski	Kaminski	Kaminski

Citations

OpenAlex: 288
Scholar: 374
DOI: 10.1021/jp9624257
OpenAlex: W2024106850

Match decisions

doi merged · 1.00 · Run 18

1996 SCRF/Monte Carlo Study of Solvent Effects on a Polar (2 + 2] Cycloaddition The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1069–1071 · CV · published

1069194. SCRF/Monte Carlo Study of Solvent Effects on a Polar (2 + 2] Cycloaddition.1070D. Lim and W. L. Jorgensen,1071J. Phys. Chem., 100, 17490-17500 (1996).

Institution fields

Peer reviewed: yes
First author: Lim
Co-authors: D. Lim; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	SCRF/Monte Carlo Study of Solvent Effects on a Polar (2 + 2] Cycloaddition	SCRF/Monte Carlo Study of Solvent Effects on a Polar [2+2] Cycloaddition
year cv	1996	1996
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article
DOI crossref	10.1021/jp962409+	10.1021/jp962409+
first author openalex	Lim	Lim

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1021/jp962409+
OpenAlex: W2067490287

Match decisions

doi merged · 1.00 · Run 18

1996 Viability of Molecular Modeling with Pentium-Based PC’s Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1087–1089 · CV · published

1087198. Viability of Molecular Modeling with Pentium-Based PC’s.1088J. Tirado-Rives and W. L. Jorgensen,1089J. Comput. Chem., 17, 1385-1386 (1996).

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Viability of Molecular Modeling with Pentium-Based PC’s	Viability of molecular modeling with pentium-based PCs
year cv	1996	1996
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/(sici)1096-987x(199608)17:11<1385::aid-jcc11>3.0.co;2-m	10.1002/(sici)1096-987x(199608)17:11<1385::aid-jcc11>3.0.co;2-m
first author openalex	Tirado-Rives	Tirado‐Rives

Citations

OpenAlex: 18
Scholar: none
DOI: 10.1002/(sici)1096-987x(199608)17:11<1385::aid-jcc11>3.0.co;2-m
OpenAlex: W1982246455

Match decisions

doi merged · 1.00 · Run 18

1995 A Comprehensive Study of the Rotational Profiles of Some Organic Systems by Ab Initio MO Theory, Forming a Basis for Peptide Torsional Parameters Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1021–1024 · CV · published

1021184. A Comprehensive Study of the Rotational Profiles of Some Organic Systems by Ab1022Initio MO Theory, Forming a Basis for Peptide Torsional Parameters.1023D. S. Maxwell, J. Tirado-Rives, and W. L. Jorgensen1024J. Comput. Chem., 16, 984-1010 (1995).

Institution fields

Peer reviewed: yes
First author: Maxwell
Co-authors: D. S. Maxwell; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Comprehensive Study of the Rotational Profiles of Some Organic Systems by Ab Initio MO Theory, Forming a Basis for Peptide Torsional Parameters	A comprehensive study of the rotational energy profiles of organic systems by ab initio MO theory, forming a basis for peptide torsional parameters	A comprehensive study of the rotational energy profiles of organic systems by ab initio MO theory, forming a basis for peptide torsional parameters
year cv	1995	1995	1995
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540160807	10.1002/jcc.540160807
first author openalex	Maxwell	Maxwell	Maxwell

Citations

OpenAlex: 73
Scholar: 98
DOI: 10.1002/jcc.540160807
OpenAlex: W2159135005

Match decisions

doi merged · 1.00 · Run 18

1995 An Empirical Boundary Potential for Water Droplet Simulations Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1017–1019 · CV · published

1017183. An Empirical Boundary Potential for Water Droplet Simulations.1018J. W. Essex and W. L. Jorgensen1019J. Comput. Chem., 16, 951-972 (1995).

Institution fields

Peer reviewed: yes
First author: Essex
Co-authors: J. W. Essex; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	An Empirical Boundary Potential for Water Droplet Simulations	An empirical boundary potential for water droplet simulations	An empirical boundary potential for water droplet simulations
year cv	1995	1995	1995
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540160805	10.1002/jcc.540160805
first author openalex	Essex	Essex	Essex

Citations

OpenAlex: 70
Scholar: 99
DOI: 10.1002/jcc.540160805
OpenAlex: W2163039845

Match decisions

doi merged · 1.00 · Run 18

1995 An Extended Linear Response Method for Determining Free Energies of Hydration The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1041–1043 · CV · published

1041188. An Extended Linear Response Method for Determining Free Energies of Hydration.1042H. A. Carlson and W. L. Jorgensen,1043J. Phys. Chem., 99, 10667-10673 (1995).

Institution fields

Peer reviewed: yes
First author: Carlson
Co-authors: H. A. Carlson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	An Extended Linear Response Method for Determining Free Energies of Hydration	An Extended Linear Response Method for Determining Free Energies of Hydration	An extended linear response method for determining free energies of hydration
year cv	1995	1995	1995
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100026a034	10.1021/j100026a034
first author openalex	Carlson	Carlson	Carlson

Citations

OpenAlex: 268
Scholar: 316
DOI: 10.1021/j100026a034
OpenAlex: W2053759741

Match decisions

doi merged · 1.00 · Run 18

1995 Computer Assisted Mechanistic Evaluation of Organic Reactions, 26. Diastereoselective Additions: Cram's Rule The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 1031–1034 · CV · published

1031186. Computer Assisted Mechanistic Evaluation of Organic Reactions, 26. Diastereoselective1032Additions: Cram's Rule.1033J. M. Fleischer, A. J. Gushurst, and W. L. Jorgensen1034J. Org. Chem., 60, 490-498 (1995).

Institution fields

Peer reviewed: yes
First author: Fleischer
Co-authors: J. M. Fleischer; A. J. Gushurst; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions, 26. Diastereoselective Additions: Cram's Rule	Computer Assisted Mechanistic Evaluations of Organic Reactions. 26. Diastereoselective Additions: Cram's Rule
year cv	1995	1995
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00108a006	10.1021/jo00108a006
first author openalex	Fleischer	Fleischer

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1021/jo00108a006
OpenAlex: W1971929581

Match decisions

doi merged · 1.00 · Run 18

1995 Dielectric Constants of Formamide and Dimethylformamide via Computer Simulations The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1055–1057 · CV · published

1055191. Dielectric Constants of Formamide and Dimethylformamide via Computer Simulations.1056J. W. Essex and W. L. Jorgensen,1057J. Phys. Chem., 99, 17956-17962 (1995).

Institution fields

Peer reviewed: yes
First author: Essex
Co-authors: J. W. Essex; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Dielectric Constants of Formamide and Dimethylformamide via Computer Simulations	Dielectric constants of formamide and dimethylformamide via computer simulation	Dielectric constants of formamide and dimethylformamide via computer simulation
year cv	1995	1995	1995
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100051a021	10.1021/j100051a021
first author openalex	Essex	Essex	Essex

Citations

OpenAlex: 72
Scholar: 92
DOI: 10.1021/j100051a021
OpenAlex: W2026809841

Match decisions

doi merged · 1.00 · Run 18

1995 Elucidation of Transition States and Solvent Effects for the Mislow-Evans Rearrangement of Allylic Sulfoxides Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1050–1053 · CV · published

1050190. Elucidation of Transition States and Solvent Effects for the Mislow-Evans1051Rearrangement of Allylic Sulfoxides.1052D. K. Jones-Hertzog and W. L. Jorgensen,1053J. Am. Chem. Soc., 117, 9077-9078 (1995).

Institution fields

Peer reviewed: yes
First author: Jones-Hertzog
Co-authors: D. K. Jones-Hertzog; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Elucidation of Transition States and Solvent Effects for the Mislow-Evans Rearrangement of Allylic Sulfoxides	Elucidation of Transition Structures and Solvent Effects for the Mislow-Evans Rearrangement of Allylic Sulfoxides
year cv	1995	1995
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00140a029	10.1021/ja00140a029
first author openalex	Jones-Hertzog	Jones-Hertzog

Citations

OpenAlex: 40
Scholar: none
DOI: 10.1021/ja00140a029
OpenAlex: W2044530829

Match decisions

doi merged · 1.00 · Run 18

1995 Free Energies of Hydration for Organic Molecules from Monte Carlo Simulations Perspectives in Drug Discovery and Design article journal CV OA GS

CV span

lines 1045–1048 · CV · published

1045189. Free Energies of Hydration for Organic Molecules from Monte Carlo Simulations.1046W. L. Jorgensen and J. Tirado-Rives,10471048Perspectives in Drug Discovery and Design, 3, 123-138(1995).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Free Energies of Hydration for Organic Molecules from Monte Carlo Simulations	Free energies of hydration for organic molecules from Monte Carlo simulations
year cv	1995	1995
venue crossref	Perspectives in Drug Discovery and Design	Perspectives in Drug Discovery and Design
kind cv	article	article
DOI crossref	10.1007/bf02174470	10.1007/bf02174470
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 45
Scholar: none
DOI: 10.1007/bf02174470
OpenAlex: W2950552198

Match decisions

doi merged · 1.00 · Run 18

1995 Generalized Alteration of Structure and Parameters (GASP); a New Method for Free Energy Perturbations in Systems Containing Flexible and/or Fixed Degrees of Freedom Journal of Computational Chemistry article journal CV OA GS

CV span

lines 1012–1015 · CV · published

1012182. Generalized Alteration of Structure and Parameters (GASP); a New Method for Free1013Energy Perturbations in Systems Containing Flexible and/or Fixed Degrees of Freedom.1014D. L. Severance, J. W. Essex, and W. L. Jorgensen1015J. Comput. Chem., 16, 311-327 (1995).

Institution fields

Peer reviewed: yes
First author: Severance
Co-authors: D. L. Severance; J. W. Essex; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Generalized Alteration of Structure and Parameters (GASP); a New Method for Free Energy Perturbations in Systems Containing Flexible and/or Fixed Degrees of Freedom	Generalized alteration of structure and parameters: A new method for free‐energy perturbations in systems containing flexible degrees of freedom
year cv	1995	1995
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.540160306	10.1002/jcc.540160306
first author openalex	Severance	Severance

Citations

OpenAlex: 35
Scholar: none
DOI: 10.1002/jcc.540160306
OpenAlex: W2018255077

Match decisions

doi merged · 1.00 · Run 18

1995 Investigations into the Stereochemistry of Steroid-Cyclophane Complexes via Monte Carlo Simulations Tetrahedron article journal CV OA GS

CV span

lines 1026–1029 · CV · published

1026185. Investigations into the Stereochemistry of Steroid-Cyclophane Complexes via Monte1027Carlo Simulations.1028H. A. Carlson and W. L. Jorgensen1029Tetrahedron (Symposium in Print), 51, 449-472 (1995).

Institution fields

Peer reviewed: yes
First author: Carlson
Co-authors: H. A. Carlson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Investigations into the Stereochemistry of Steroid-Cyclophane Complexes via Monte Carlo Simulations	Investigations into the stereochemistry of cyclophane-steroid complexes via Monte Carlo simulations
year cv	1995	1995
venue crossref	Tetrahedron (Symposium in Print)	Tetrahedron	Tetrahedron
kind cv	article	article
DOI crossref	10.1016/0040-4020(94)00908-d	10.1016/0040-4020(94)00908-d
first author openalex	Carlson	Carlson

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1016/0040-4020(94)00908-d
OpenAlex: W2056397731

Match decisions

doi merged · 1.00 · Run 18

1995 Regioselective Synthesis of Allylic Alcohols Using the Mislow-Evans Rearrangement: A Theoretical Rationalization The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 1059–1062 · CV · published

1059192. Regioselective Synthesis of Allylic Alcohols Using the Mislow-Evans Rearrangement: A1060Theoretical Rationalization.1061D. K. Jones-Hertzog and W. L. Jorgensen,1062J. Org. Chem., 60, 6682-6683 (1995).

Institution fields

Peer reviewed: yes
First author: Jones-Hertzog
Co-authors: D. K. Jones-Hertzog; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Regioselective Synthesis of Allylic Alcohols Using the Mislow-Evans Rearrangement: A Theoretical Rationalization	Regioselective Synthesis of Allylic Alcohols Using the Mislow-Evans Rearrangement: A Theoretical Rationalization
year cv	1995	1995
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00126a016	10.1021/jo00126a016
first author openalex	Jones-Hertzog	Jones-Hertzog

Citations

OpenAlex: 24
Scholar: none
DOI: 10.1021/jo00126a016
OpenAlex: W2033493758

Match decisions

doi merged · 1.00 · Run 18

1995 The Energy Difference Between the Classical and the Nonclassical 2-Norbornyl Cation in Solution. A Combined Ab Initio - Monte Carlo Study Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1036–1039 · CV · published

1036187. The Energy Difference Between the Classical and the Nonclassical 2-Norbornyl Cation1037in Solution. A Combined Ab Initio - Monte Carlo Study.P. R. Schreiner, D. L.1038Severance, W. L. Jorgensen, P. v.R. Schleyer, and H. F. Schaefer III1039J. Am. Chem. Soc., 117, 2663-2664 (1995).

Institution fields

Peer reviewed: yes
First author: Schreiner
Co-authors: P. R. Schreiner; D. L. Severance; W. L. Jorgensen; P. v.R. Schleyer; H. F. Schaefer III
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Energy Difference Between the Classical and the Nonclassical 2-Norbornyl Cation in Solution. A Combined Ab Initio - Monte Carlo Study	Energy Difference between the Classical and the Nonclassical 2-Norbornyl Cation in Solution. A Combined ab Initio-Monte Carlo Aqueous Solution Study
year cv	1995	1995
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00114a037	10.1021/ja00114a037
first author openalex	Schreiner	Schreiner

Citations

OpenAlex: 52
Scholar: none
DOI: 10.1021/ja00114a037
OpenAlex: W1997662959

Match decisions

doi merged · 1.00 · Run 18

1995 The Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2- Dichloroethane and Water in Cyclohexane Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1064–1067 · CV · published

1064193. The Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2-1065Dichloroethane and Water in Cyclohexane.1066W. L. Jorgensen, N. A. McDonald, M. Selmi, and P. R. Rablen,1067J. Am. Chem. Soc., 117, 11809-11810 (1995).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; N. A. McDonald; M. Selmi; P. R. Rablen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2- Dichloroethane and Water in Cyclohexane	Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2-Dichloroethane and Water in Cyclohexane
year cv	1995	1995
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00152a025	10.1021/ja00152a025
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 77
Scholar: none
DOI: 10.1021/ja00152a025
OpenAlex: W2074823576

Match decisions

doi merged · 1.00 · Run 18

1994 Computer Assisted Mechanistic Evaluation of Organic Reactions. 23. Dissolving Metal Reductions with Lithium in Liquid Ammonia Including the Birch Reduction The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 972–975 · CV · published

972174. Computer Assisted Mechanistic Evaluation of Organic Reactions. 23. Dissolving Metal973Reductions with Lithium in Liquid Ammonia Including the Birch Reduction.974S. Sinclair and W. L. Jorgensen975J. Org. Chem., 59, 762-772 (1994).

Institution fields

Peer reviewed: yes
First author: Sinclair
Co-authors: S. Sinclair; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions. 23. Dissolving Metal Reductions with Lithium in Liquid Ammonia Including the Birch Reduction	Computer Assisted Mechanistic Evaluation of Organic Reactions. 23. Dissolving Metal Reductions with Lithium in Liquid Ammonia Including the Birch Reduction
year cv	1994	1994
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00083a017	10.1021/jo00083a017
first author openalex	Sinclair	Sinclair

Citations

OpenAlex: 10
Scholar: none
DOI: 10.1021/jo00083a017
OpenAlex: W2949276866

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1994 Computer Assisted Mechanistic Evaluation of Organic Reactions, 24. Carbene Chemistry The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 986–989 · CV · published

986177. Computer Assisted Mechanistic Evaluation of Organic Reactions, 24. Carbene987Chemistry.988H. E. Helson and W. L. Jorgensen989J. Org. Chem., 59, 3841-3856 (1994).

Institution fields

Peer reviewed: yes
First author: Helson
Co-authors: H. E. Helson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions, 24. Carbene Chemistry	Computer-Assisted Mechanistic Evaluation of Organic Reactions. 24. Carbene Chemistry
year cv	1994	1994
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00093a017	10.1021/jo00093a017
first author openalex	Helson	Helson

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1021/jo00093a017
OpenAlex: W1991614787

Match decisions

doi merged · 1.00 · Run 18

1994 Computer Assisted Mechanistic Evaluation of Organic Reactions, 25. Structure Diagram Positioning Journal of Chemical Information and Computer Sciences article journal CV OA GS needs review

CV span

lines 991–994 · CV · published

991178. Computer Assisted Mechanistic Evaluation of Organic Reactions, 25. Structure Diagram992Positioning.993H. E. Helson and W. L. Jorgensen994J. Chem. Info. Comput. Sci., 34, 962-971 (1994).

Institution fields

Peer reviewed: yes
First author: Helson
Co-authors: H. E. Helson; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions, 25. Structure Diagram Positioning	Computer-Assisted Mechanistic Evaluation of Organic Reactions. 25. Structure Diagram Positioning
year cv	1994	1994
venue crossref	J. Chem. Info. Comput. Sci.	Journal of Chemical Information and Computer Sciences	Journal of Chemical Information and Computer Sciences
kind cv	article	article
DOI crossref	10.1021/ci00020a034	10.1021/ci00020a034
first author openalex	Helson	Helson

Citations

OpenAlex: 2
Scholar: none
DOI: 10.1021/ci00020a034
OpenAlex: W2037487498

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1994 Effects of Hydration and Multiple Reactant Conformers on the Claisen Rearrangement of Allyl Vinyl Ether from Computer Simulations ACS Symposium Series chapter CV OA GS

CV span

lines 996–999 · CV · published

996179. Effects of Hydration and Multiple Reactant Conformers on the Claisen Rearrangement of997Allyl Vinyl Ether from Computer Simulations.998D. L. Severance and W. L. Jorgensen999ACS Symposium Ser., 568, 243-259 (1994).

Institution fields

Peer reviewed: yes
First author: Severance
Co-authors: D. L. Severance; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Effects of Hydration and Multiple Reactant Conformers on the Claisen Rearrangement of Allyl Vinyl Ether from Computer Simulations	Claisen Rearrangement of Allyl Vinyl Ether
year cv	1994	1994
venue crossref	ACS Symposium Ser., 568	ACS symposium series	ACS Symposium Series
kind cv	chapter	other
DOI crossref	10.1021/bk-1994-0568.ch017	10.1021/bk-1994-0568.ch017
first author openalex	Severance	Severance

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1021/bk-1994-0568.ch017
OpenAlex: W4231118092

Match decisions

doi merged · 1.00 · Run 18

1994 Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States - Ab Initio Evidence. The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 953–956 · CV · published

953170. Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States - Ab Initio954Evidence.955J. F. Blake, D. Lim, and W. L. Jorgensen956J. Org. Chem., 59, 803-805 (1994).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; D. Lim; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States - Ab Initio Evidence.	Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States. Ab Initio Evidence	Enhanced hydrogen bonding of water to Diels-Alder transition states. Ab initio evidence
year cv	1994	1994	1994
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jo00083a021	10.1021/jo00083a021
first author openalex	Blake	Blake	Blake

Citations

OpenAlex: 144
Scholar: 202
DOI: 10.1021/jo00083a021
OpenAlex: W2009536263

Match decisions

doi merged · 1.00 · Run 18

1994 Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 1007–1010 · CV · published

1007181. Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS1008All-Atom Model.1009G. Kaminski, E. M. Duffy, T. Matsui, and W. L. Jorgensen1010J. Phys. Chem., 98, 13077-13081 (1994).

Institution fields

Peer reviewed: yes
First author: Kaminski
Co-authors: G. Kaminski; E. M. Duffy; T. Matsui; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model	Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model	Free energies of hydration and pure liquid properties of hydrocarbons from the OPLS all-atom model
year cv	1994	1994	1994
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100100a043	10.1021/j100100a043
first author openalex	Kaminski	Kaminski	Kaminski

Citations

OpenAlex: 335
Scholar: 431
DOI: 10.1021/j100100a043
OpenAlex: W1980705414

Match decisions

doi merged · 1.00 · Run 18

1994 Investigation of Solvent Effects on Pericyclic Reactions by Computer Simulations Journal of the Chemical Society, Faraday Transactions article journal CV OA GS

CV span

lines 977–979 · CV · published

977175. Investigation of Solvent Effects on Pericyclic Reactions by Computer Simulations.978W. L. Jorgensen, J. F. Blake, D. Lim, and D. L. Severance979Trans. Faraday Soc., 90, 1727-1732 (1994).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. F. Blake; D. Lim; D. L. Severance
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Investigation of Solvent Effects on Pericyclic Reactions by Computer Simulations	Investigation of solvent effects on pericyclic reactions by computer simulations	Investigation of solvent effects on pericyclic reactions by computer simulations
year cv	1994	1994	1994
venue crossref	Trans. Faraday Soc.	Journal of the Chemical Society Faraday Transactions	Journal of the Chemical Society, Faraday Transactions	Journal of the Chemical Society, Faraday Transactions
kind cv	article	article	other
DOI crossref	10.1039/ft9949001727	10.1039/ft9949001727
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 99
Scholar: 122
DOI: 10.1039/ft9949001727
OpenAlex: W2002594844

Match decisions

doi merged · 1.00 · Run 18

1994 Modeling Interactions with Benzene: Aryl-Aryl, Cation-, and Chaotrope-. Computational Approaches in Supramolecular Chemistry chapter CV OA GS

CV span

lines 962–965 · CV · published

962172. Modeling Interactions with Benzene: Aryl-Aryl, Cation-, and Chaotrope-.963W. L. Jorgensen, D. L. Severance, and E. M. Duffy964in Computational Approaches in Supramolecular Chemistry,965G. Wipff (ed.), Kluwer Academic Publishers (1994), p 161-173.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. L. Severance; E. M. Duffy
Subfield: other
Method: none
Invited: none
Publisher: Kluwer Academic Publishers
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Modeling Interactions with Benzene: Aryl-Aryl, Cation-, and Chaotrope-.	Modeling Interactions with Benzene: Aryl-Aryl, Cation-π, and Chaotrope-π
year cv	1994	1994
venue crossref	Computational Approaches in Supramolecular Chemistry
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-011-1058-7_11	10.1007/978-94-011-1058-7_11
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 1
Scholar: none
DOI: 10.1007/978-94-011-1058-7_11
OpenAlex: W45105369

Match decisions

doi merged · 1.00 · Run 18

1994 Monte Carlo Results for the Effect of Solvation on the Anomeric Equilibrium for 2- Methoxytetrahydropyran Journal of the American Chemical Society article journal CV OA GS

CV span

lines 981–984 · CV · published

981176. Monte Carlo Results for the Effect of Solvation on the Anomeric Equilibrium for 2-982Methoxytetrahydropyran.983W. L. Jorgensen, P. I. Morales de Tirado, and D. L. Severance984J. Am. Chem. Soc. 116, 2199-2200 (1994).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; P. I. Morales de Tirado; D. L. Severance
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Results for the Effect of Solvation on the Anomeric Equilibrium for 2- Methoxytetrahydropyran	Monte Carlo Results for the Effect of Solvation on the Anomeric Equilibrium for 2-Methoxytetrahydropyran
year cv	1994	1994
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00084a092	10.1021/ja00084a092
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 51
Scholar: none
DOI: 10.1021/ja00084a092
OpenAlex: W2007154619

Match decisions

doi merged · 1.00 · Run 18

1994 Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 944–947 · CV · published

944168. Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid945Simulations.946J. D. Evanseck, K. N. Houk, J. M. Briggs, and W. L. Jorgensen947J. Am. Chem. Soc., 116, 10630-10638 (1994).

Institution fields

Peer reviewed: yes
First author: Evanseck
Co-authors: J. D. Evanseck; K. N. Houk; J. M. Briggs; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations.	Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations
year cv	1994	1994
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00102a032	10.1021/ja00102a032
first author openalex	Evanseck	Evanseck

Citations

OpenAlex: 29
Scholar: none
DOI: 10.1021/ja00102a032
OpenAlex: W1968547465

Match decisions

doi merged · 1.00 · Run 18

1994 Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls - A Combined Ab Initio and Monte Carlo Study Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 967–970 · CV · published

967173. Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls - A Combined Ab968Initio and Monte Carlo Study.969D. Lim, D. A. Hrovat, W. T. Borden, and W. L. Jorgensen970J. Am. Chem. Soc., 116, 3494-3499 (1994).

Institution fields

Peer reviewed: yes
First author: Lim
Co-authors: D. Lim; D. A. Hrovat; W. T. Borden; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls - A Combined Ab Initio and Monte Carlo Study	Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls: A Combined ab Initio and Monte Carlo Study
year cv	1994	1994
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00087a040	10.1021/ja00087a040
first author openalex	Lim	Lim

Citations

OpenAlex: 56
Scholar: none
DOI: 10.1021/ja00087a040
OpenAlex: W2951795927

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00087a040 and title on solvent effects on the ring opening of cyclopropanones.
doi merged · 1.00 · Run 18

1994 Structure and Binding for Complexes of Rebek's Acridine Diacid with Pyrazine, Quinoxaline, and Pyridine from Monte Carlo Simulations with an All-Atom Force Field Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1001–1005 · CV · published

1001180. Structure and Binding for Complexes of Rebek's Acridine Diacid with Pyrazine,10021003Quinoxaline, and Pyridine from Monte Carlo Simulations with an All-Atom Force Field.1004E. M. Duffy and W. L. Jorgensen1005J. Am. Chem. Soc., 116, 6337-6343 (1994).

Institution fields

Peer reviewed: yes
First author: Duffy
Co-authors: E. M. Duffy; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure and Binding for Complexes of Rebek's Acridine Diacid with Pyrazine, Quinoxaline, and Pyridine from Monte Carlo Simulations with an All-Atom Force Field	Structure and Binding for Complexes of Rebek's Acridine Diacid with Pyrazine, Quinoxaline, and Pyridine from Monte Carlo Simulations with an All-Atom Force Field
year cv	1994	1994
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00093a038	10.1021/ja00093a038
first author openalex	Duffy	Duffy

Citations

OpenAlex: 23
Scholar: none
DOI: 10.1021/ja00093a038
OpenAlex: W2005935968

Match decisions

doi merged · 1.00 · Run 18

1994 Synthesis and Investigations of Enetetraynes. Tetrahedron article journal CV OA GS needs review

CV span

lines 958–960 · CV · published

958171. Synthesis and Investigations of Enetetraynes.959D. Elbaum, T. B. Nguyen, W. L. Jorgensen, and S. L. Schreiber960Tetrahedron, 50, 1503-1518 (1994).

Institution fields

Peer reviewed: yes
First author: Elbaum
Co-authors: D. Elbaum; T. B. Nguyen; W. L. Jorgensen; S. L. Schreiber
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Synthesis and Investigations of Enetetraynes.	Synthesis and investigations of enetetraynes
year cv	1994	1994
venue crossref	Tetrahedron	Tetrahedron
kind cv	article	article
DOI crossref	10.1016/s0040-4020(01)80631-1	10.1016/s0040-4020(01)80631-1
first author openalex	Elbaum	Elbaum

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1016/s0040-4020(01)80631-1
OpenAlex: W1988684541

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1016/s0040-4020(01)80631-1 and title on synthesis and investigations of enetetraynes.
doi merged · 1.00 · Run 18

1993 Ab Initio Study of Diels-Alder Reactions of Cyclopentadiene with Ethylene, Isoprene, Cyclopentadiene, Acrylonitrile, and Methyl Vinyl Ketone. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 891–894 · CV · published

891157. Ab Initio Study of Diels-Alder Reactions of Cyclopentadiene with Ethylene, Isoprene,892Cyclopentadiene, Acrylonitrile, and Methyl Vinyl Ketone.893W. L. Jorgensen, D. Lim, and J. F. Blake894J. Am. Chem. Soc., 115, 2936 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. Lim; J. F. Blake
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Ab Initio Study of Diels-Alder Reactions of Cyclopentadiene with Ethylene, Isoprene, Cyclopentadiene, Acrylonitrile, and Methyl Vinyl Ketone.	Ab initio study of Diels-Alder reactions of cyclopentadiene with ethylene, isoprene, cyclopentadiene, acrylonitrile, and methyl vinyl ketone	Ab initio study of Diels-Alder reactions of cyclopentadiene with ethylene, isoprene, cyclopentadiene, acrylonitrile, and methyl vinyl ketone
year cv	1993	1993	1993
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00060a048	10.1021/ja00060a048
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 193
Scholar: 226
DOI: 10.1021/ja00060a048
OpenAlex: W2951995354

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00060a048 and title on ab initio study of Diels-Alder reactions.
doi merged · 1.00 · Run 18

1993 Accuracy of Free Energies of Hydration for Organic Molecules from 6-31G* Derived Partial Charges. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 912–916 · CV · published

912162. Accuracy of Free Energies of Hydration for Organic Molecules from 6-31G* Derived913914Partial Charges.915H. A. Carlson, T. B. Nguyen, M. Orozco, and W. L. Jorgensen916J. Comput. Chem., 14, 1240 (1993).

Institution fields

Peer reviewed: yes
First author: Carlson
Co-authors: H. A. Carlson; T. B. Nguyen; M. Orozco; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Accuracy of Free Energies of Hydration for Organic Molecules from 6-31G* Derived Partial Charges.	Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges	Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges
year cv	1993	1993	1993
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540141013	10.1002/jcc.540141013
first author openalex	Carlson	Carlson	Carlson

Citations

OpenAlex: 155
Scholar: 201
DOI: 10.1002/jcc.540141013
OpenAlex: W2130102655

Match decisions

doi merged · 1.00 · Run 18

1993 Comparison of 6-31G* Based MST/SCRF and FEP Evaluations of the Free Energies of Hydration for Small Neutral Molecules. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 929–932 · CV · published

929165. Comparison of 6-31G* Based MST/SCRF and FEP Evaluations of the Free Energies of930Hydration for Small Neutral Molecules.931M. Orozco, W. L. Jorgensen, and F. J. Luque932J. Comput. Chem., 14, 1498 (1993).

Institution fields

Peer reviewed: yes
First author: Orozco
Co-authors: M. Orozco; W. L. Jorgensen; F. J. Luque
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Comparison of 6-31G* Based MST/SCRF and FEP Evaluations of the Free Energies of Hydration for Small Neutral Molecules.	Comparison of 6‐31G*‐based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules
year cv	1993	1993
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.540141212	10.1002/jcc.540141212
first author openalex	Orozco	Orozco

Citations

OpenAlex: 61
Scholar: none
DOI: 10.1002/jcc.540141212
OpenAlex: W2028737982

Match decisions

doi merged · 1.00 · Run 18

1993 Computational Investigations of Protein Denaturation: Apomyoglobin and Chaotrope- Arene Interactions. Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences article journal CV OA GS

CV span

lines 934–937 · CV · published

934166. Computational Investigations of Protein Denaturation: Apomyoglobin and Chaotrope-935Arene Interactions.936W. L. Jorgensen, E. M. Duffy, and J. Tirado-Rives937Phil. Trans. Roy. Soc. London A, 345, 87-96 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. M. Duffy; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Investigations of Protein Denaturation: Apomyoglobin and Chaotrope- Arene Interactions.	Computational investigations of protein denaturation: apomyoglobin and chaotrope-arene interactions
year cv	1993	1993
venue crossref	Phil. Trans. Roy. Soc. London A	Philosophical Transactions of the Royal Society of London Series A Physical and Engineering Sciences	Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences
kind cv	article	article
DOI crossref	10.1098/rsta.1993.0120	10.1098/rsta.1993.0120
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1098/rsta.1993.0120
OpenAlex: W2046209300

Match decisions

doi merged · 1.00 · Run 18

1993 Computer Assisted Mechanistic Evaluation of Organic Reactions. 22. The Generation and Use of Three-Dimensional Structures. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 923–927 · CV · published

923164. Computer Assisted Mechanistic Evaluation of Organic Reactions. 22. The Generation924and Use of Three-Dimensional Structures.925S. A. Gothe, H. E. Helson, I. Houdaverdis, I. Lagerstedt, S. Sinclair, and W. L.926Jorgensen927J. Org. Chem., 58, 5081 (1993).

Institution fields

Peer reviewed: yes
First author: Gothe
Co-authors: S. A. Gothe; H. E. Helson; I. Houdaverdis; I. Lagerstedt; S. Sinclair; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions. 22. The Generation and Use of Three-Dimensional Structures.	Computer-assisted mechanistic evaluation of organic reactions. 22. The generation and use of three-dimensional structures
year cv	1993	1993
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00071a017	10.1021/jo00071a017
first author openalex	Gothe	Gothe

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1021/jo00071a017
OpenAlex: W1991454443

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1993 Do Denaturants Interact with Aromatic Hydrocarbons in Water? Journal of the American Chemical Society article journal CV OA GS

CV span

lines 949–951 · CV · published

949169. Do Denaturants Interact with Aromatic Hydrocarbons in Water?950E. M. Duffy, P. J. Kowalczyk, and W. L. Jorgensen951J. Am. Chem. Soc., 115, 9271 (1993).

Institution fields

Peer reviewed: yes
First author: Duffy
Co-authors: E. M. Duffy; P. J. Kowalczyk; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Do Denaturants Interact with Aromatic Hydrocarbons in Water?	Do denaturants interact with aromatic hydrocarbons in water?	Do denaturants interact with aromatic hydrocarbons in water?
year cv	1993	1993	1993
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00073a050	10.1021/ja00073a050
first author openalex	Duffy	Duffy	Duffy

Citations

OpenAlex: 157
Scholar: 194
DOI: 10.1021/ja00073a050
OpenAlex: W2093017510

Match decisions

doi merged · 1.00 · Run 18

1993 Limited Effects of Polarization for Cl-(H2O)n and Na+(H2O)n Clusters. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 908–910 · CV · published

908161. Limited Effects of Polarization for Cl-(H2O)n and Na+(H2O)n Clusters.909W. L. Jorgensen and D. L. Severance910J. Chem. Phys., 99, 4233 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. L. Severance
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Limited Effects of Polarization for Cl-(H2O)n and Na+(H2O)n Clusters.	Limited effects of polarization for Cl−(H2O)n and Na+(H2O)n clusters	Limited effects of polarization for Cl−(H2O)n and Na+(H2O)n clusters
year cv	1993	1993	1993
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.466077	10.1063/1.466077
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 91
Scholar: 113
DOI: 10.1063/1.466077
OpenAlex: W2001264128

Match decisions

doi merged · 1.00 · Run 18

1993 Mechanism for the Rotamase Activity of FK506 Binding Protein from Molecular Dynamics Simulations. Biochemistry article journal CV OA GS

CV span

lines 939–942 · CV · published

939167. Mechanism for the Rotamase Activity of FK506 Binding Protein from Molecular940Dynamics Simulations.941M. Orozco, J. Tirado-Rives, and W. L. Jorgensen942Biochemistry, 32, 12864-12874 (1993).

Institution fields

Peer reviewed: yes
First author: Orozco
Co-authors: M. Orozco; J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Mechanism for the Rotamase Activity of FK506 Binding Protein from Molecular Dynamics Simulations.	Mechanism for the rotamase activity of FK506 binding protein from molecular dynamics simulations
year cv	1993	1993
venue crossref	Biochemistry	Biochemistry
kind cv	article	article
DOI crossref	10.1021/bi00210a040	10.1021/bi00210a040
first author openalex	Orozco	Orozco

Citations

OpenAlex: 41
Scholar: none
DOI: 10.1021/bi00210a040
OpenAlex: W2085986162

Match decisions

doi merged · 1.00 · Run 18

1993 Modeling the Complexation of Substituted Benzenes by a Cyclophane Host in Water. Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 887–889 · CV · published

887156. Modeling the Complexation of Substituted Benzenes by a Cyclophane Host in Water.888W. L. Jorgensen and T. B. Nguyen889Proc. Nat. Acad. Sci. USA, 90, 1194 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; T. B. Nguyen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Modeling the Complexation of Substituted Benzenes by a Cyclophane Host in Water.	Modeling the complexation of substituted benzenes by a cyclophane host in water.
year cv	1993	1993
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article
DOI crossref	10.1073/pnas.90.4.1194	10.1073/pnas.90.4.1194
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 18
Scholar: none
DOI: 10.1073/pnas.90.4.1194
OpenAlex: W2032508016

Match decisions

doi merged · 1.00 · Run 18

1993 Molecular Dynamics and Monte Carlo Simulations Favor the -Helical Form for Alanine-based Peptides in Water. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 918–921 · CV · published

918163. Molecular Dynamics and Monte Carlo Simulations Favor the -Helical Form for919Alanine-based Peptides in Water.920J. Tirado-Rives, D. S. Maxwell, and W. L. Jorgensen921J. Am. Chem. Soc., 115, 11590 (1993).

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; D. S. Maxwell; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Molecular Dynamics and Monte Carlo Simulations Favor the -Helical Form for Alanine-based Peptides in Water.	Molecular dynamics and Monte Carlo simulations favor the .alpha.-helical form for alanine-based peptides in water	Molecular dynamics and Monte Carlo simulations favor the. alpha.-helical form for alanine-based peptides in water
year cv	1993	1993	1993
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00077a066	10.1021/ja00077a066
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 102
Scholar: 127
DOI: 10.1021/ja00077a066
OpenAlex: W1991189249

Match decisions

doi merged · 1.00 · Run 18

1993 Molecular Dynamics Simulations of the Unfolding of Apomyoglobin in Water. Biochemistry article journal CV OA GS needs review

CV span

lines 896–898 · CV · published

896158. Molecular Dynamics Simulations of the Unfolding of Apomyoglobin in Water.897J. Tirado-Rives and W. L. Jorgensen898Biochemistry, 32, 4175 (1993).

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Molecular Dynamics Simulations of the Unfolding of Apomyoglobin in Water.	Molecular dynamics simulations of the unfolding of apomyoglobin in water	Molecular dynamics simulations of the unfolding of apomyoglobin in water
year cv	1993	1993	1993
venue crossref	Biochemistry	Biochemistry	Biochemistry
kind cv	article	article	other
DOI crossref	10.1021/bi00067a004	10.1021/bi00067a004
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 121
Scholar: 164
DOI: 10.1021/bi00067a004
OpenAlex: W2094468099

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups two distinct molecular dynamics unfolding studies by Tirado-Rives and Jorgensen published in Biochemistry (S-peptide vs. apomyoglobin).
doi merged · 1.00 · Run 18

1993 Monte Carlo Simulations of Pure Liquid Substituted Benzenes with OPLS Potential Functions. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 882–885 · CV · published

882155. Monte Carlo Simulations of Pure Liquid Substituted Benzenes with OPLS Potential883Functions.884W. L. Jorgensen, E. R. Laird, T. B. Nguyen, amd J. Tirado-Rives885J. Comput. Chem., 13, 206 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. R. Laird; T. B. Nguyen; amd J. Tirado-Rives
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of Pure Liquid Substituted Benzenes with OPLS Potential Functions.	Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions	Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions
year cv	1993	1993	1993
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540140208	10.1002/jcc.540140208
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 180
Scholar: 228
DOI: 10.1002/jcc.540140208
OpenAlex: W2153496633

Match decisions

gemini merged · 1.00 · Run 18 These records share the DOI 10.1021/j100161a065 and identical titles on Monte Carlo simulations of liquid acetic acid.

1993 Monte Carlo Simulations of the Hydration of Substituted Benzenes with OPLS Potential Functions. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 877–880 · CV · published

877154. Monte Carlo Simulations of the Hydration of Substituted Benzenes with OPLS Potential878Functions.879W. L. Jorgensen and T. B. Nguyen880J. Comput. Chem., 13, 195 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; T. B. Nguyen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of the Hydration of Substituted Benzenes with OPLS Potential Functions.	Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions	Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions
year cv	1993	1993	1993
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540140207	10.1002/jcc.540140207
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 173
Scholar: 219
DOI: 10.1002/jcc.540140207
OpenAlex: W2079760832

Match decisions

gemini merged · 1.00 · Run 18 These records share the DOI 10.1021/j100161a065 and identical titles on Monte Carlo simulations of liquid acetic acid.

1993 Solvent Effects on the Diels-Alder Reaction of Methyl Vinyl Ketone and Cyclopentadiene from Computer Simulations. Elementary Reaction Steps in Heterogeneous Catalysis chapter CV OA GS

CV span

lines 871–875 · CV · published

871153. Solvent Effects on the Diels-Alder Reaction of Methyl Vinyl Ketone and872Cyclopentadiene from Computer Simulations.873W. L. Jorgensen, D. Lim, and J. F. Blake874in Elementary Reaction Steps in Heterogeneous Catalysis, R. W. Joyner and R. A. van875Santen (eds.), Kluwer Academic Publishers (1993), p 377-387.

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. Lim; J. F. Blake
Subfield: other
Method: quantitative
Invited: none
Publisher: Kluwer Academic Publishers
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Solvent Effects on the Diels-Alder Reaction of Methyl Vinyl Ketone and Cyclopentadiene from Computer Simulations.	Solvent Effects on the Diels-Alder Reaction of Methyl Vinyl Ketone and Cyclopentadiene from Computer Simulations
year cv	1993	1993
venue crossref	Elementary Reaction Steps in Heterogeneous Catalysis
kind cv	chapter	chapter
DOI crossref	10.1007/978-94-011-1693-0_23	10.1007/978-94-011-1693-0_23
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1007/978-94-011-1693-0_23
OpenAlex: W2188272092

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ja00019a055 and title on solvent effects on a Diels-Alder reaction.

1993 Supramolecular Chemistry. Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 900–902 · CV · published

900159. Supramolecular Chemistry. (Invited editorial.)901W. L. Jorgensen902Proc. Nat. Acad. Sci. USA, 90, 1635 (1993).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: yes
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Supramolecular Chemistry.
year cv	1993
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article
DOI crossref	10.1073/pnas.90.5.1635
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none
DOI: 10.1073/pnas.90.5.1635

Match decisions

No decision recorded; a single record.

1993 Urea: Potential Functions, log P, and Free Energy of Hydration. Israel Journal of Chemistry article journal CV OA GS

CV span

lines 904–906 · CV · published

904160. Urea: Potential Functions, log P, and Free Energy of Hydration.905E. M. Duffy, D. L. Severance, and W. L. Jorgensen906Isr. J. Chem., 33, 323 (1993). (Pople issue.)

Institution fields

Peer reviewed: yes
First author: Duffy
Co-authors: E. M. Duffy; D. L. Severance; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Urea: Potential Functions, log P, and Free Energy of Hydration.	Urea: Potential Functions, log P, and Free Energy of Hydration	Urea: Potential Functions, log P, and Free Energy of Hydration
year cv	1993	1993	1993
venue crossref	Isr. J. Chem.	Israel Journal of Chemistry	Israel journal of chemistry	Israel Journal of Chemistry
kind cv	article	article	other
DOI crossref	10.1002/ijch.199300039	10.1002/ijch.199300039
first author openalex	Duffy	Duffy	Duffy

Citations

OpenAlex: 111
Scholar: 140
DOI: 10.1002/ijch.199300039
OpenAlex: W2019892654

Match decisions

doi merged · 1.00 · Run 18

1992 Computer-Assisted Mechanistic Analysis of Organic Reactions. 20. Ene and Retro-ene Chemistry. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 841–844 · CV · published

841147. Computer-Assisted Mechanistic Analysis of Organic Reactions. 20. Ene and Retro-ene842Chemistry.843G. D. Paderes and W. L. Jorgensen844J. Org. Chem., 57, 1904 (1992).

Institution fields

Peer reviewed: yes
First author: Paderes
Co-authors: G. D. Paderes; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Analysis of Organic Reactions. 20. Ene and Retro-ene Chemistry.	Computer-assisted mechanistic evaluation of organic reactions. 20. Ene and retro-ene chemistry
year cv	1992	1992
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00032a054	10.1021/jo00032a054
first author openalex	Paderes	Paderes

Citations

OpenAlex: 53
Scholar: none
DOI: 10.1021/jo00032a054
OpenAlex: W2004838263

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1992 Effects of Hydration on the Claisen Rearrangement of Allyl Vinyl Ether from Computer Simulations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 865–869 · CV · published

865152. Effects of Hydration on the Claisen Rearrangement of Allyl Vinyl Ether from Computer866Simulations.867D. L. Severance and W. L. Jorgensen868869J. Am. Chem. Soc., 114, 10966 (1992).

Institution fields

Peer reviewed: yes
First author: Severance
Co-authors: D. L. Severance; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Effects of Hydration on the Claisen Rearrangement of Allyl Vinyl Ether from Computer Simulations.	Effects of hydration on the Claisen rearrangement of allyl vinyl ether from computer simulations	Effects of hydration on the Claisen rearrangement of allyl vinyl ether from computer simulations
year cv	1992	1992	1992
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00053a046	10.1021/ja00053a046
first author openalex	Severance	Severance	Severance

Citations

OpenAlex: 186
Scholar: 258
DOI: 10.1021/ja00053a046
OpenAlex: W1983381627

Match decisions

doi merged · 1.00 · Run 18

1992 Enhanced View of Structure and Binding for Cyclophane-Arene Complexes through Joint Theoretical and Experimental Study. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 855–858 · CV · published

855150. Enhanced View of Structure and Binding for Cyclophane-Arene Complexes through856Joint Theoretical and Experimental Study.857W. L. Jorgensen, T. B. Nguyen, E. M. Sanford, I. Chao, K. N. Houk, and F. Diederich858J. Am. Chem. Soc., 114, 4003-4004 (1992).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; T. B. Nguyen; E. M. Sanford; I. Chao; K. N. Houk; F. Diederich
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Enhanced View of Structure and Binding for Cyclophane-Arene Complexes through Joint Theoretical and Experimental Study.	Enhanced view of structure and binding for cyclophane-arene complexes through joint theoretical and experimental study
year cv	1992	1992
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00036a074	10.1021/ja00036a074
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 29
Scholar: none
DOI: 10.1021/ja00036a074
OpenAlex: W2008549858

Match decisions

doi merged · 1.00 · Run 18

1992 Free Energy Profiles for Na+ Adsorption on a Metal Electrode. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 846–848 · CV · published

846148. Free Energy Profiles for Na+ Adsorption on a Metal Electrode.847T. Matsui and W. L. Jorgensen848J. Am. Chem. Soc., 114, 3220-3226 (1992).

Institution fields

Peer reviewed: yes
First author: Matsui
Co-authors: T. Matsui; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Free Energy Profiles for Na+ Adsorption on a Metal Electrode.	Free energy profiles for sodium cation adsorption on a metal electrode
year cv	1992	1992
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00035a009	10.1021/ja00035a009
first author openalex	Matsui	Matsui

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1021/ja00035a009
OpenAlex: W2007126963

Match decisions

doi merged · 1.00 · Run 18

1992 Solvent Effects on the Barrier to Isomerization for a Tertiary Amide from Ab Initio and Monte Carlo Calculations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 860–863 · CV · published

860151. Solvent Effects on the Barrier to Isomerization for a Tertiary Amide from Ab Initio and861Monte Carlo Calculations.862E. M. Duffy, D. L. Severance, and W. L. Jorgensen863J. Am. Chem. Soc., 114, 7535 (1992).

Institution fields

Peer reviewed: yes
First author: Duffy
Co-authors: E. M. Duffy; D. L. Severance; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Solvent Effects on the Barrier to Isomerization for a Tertiary Amide from Ab Initio and Monte Carlo Calculations.	Solvent effects on the barrier to isomerization for a tertiary amide from ab initio and Monte Carlo calculations	Solvent effects on the barrier to isomerization for a tertiary amide from ab initio and Monte Carlo calculations
year cv	1992	1992	1992
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00045a029	10.1021/ja00045a029
first author openalex	Duffy	Duffy	Duffy

Citations

OpenAlex: 133
Scholar: 156
DOI: 10.1021/ja00045a029
OpenAlex: W1986230696

Match decisions

doi merged · 1.00 · Run 18

1992 Structure and Binding for Cyclophane-Arene Complexes in Water from Monte Carlo Simulations. Supramolecular chemistry article journal CV OA GS

CV span

lines 850–853 · CV · published

850149. Structure and Binding for Cyclophane-Arene Complexes in Water from Monte Carlo851Simulations.852W. L. Jorgensen and T. B. Nguyen853NATO ASI Series C, 371, 383 (1992).

Institution fields

Peer reviewed: none
First author: Jorgensen
Co-authors: W. L. Jorgensen; T. B. Nguyen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Structure and Binding for Cyclophane-Arene Complexes in Water from Monte Carlo Simulations.	Structure and Binding for Cyclophane-Arene Complexes in Water From Monte Carlo Simulations
year cv	1992	1992
venue openalex	NATO ASI Series C	Supramolecular chemistry
kind cv	article	chapter
DOI openalex		10.1007/978-94-011-2492-8_25
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 2
Scholar: none
DOI: 10.1007/978-94-011-2492-8_25
OpenAlex: W280084061

Match decisions

fingerprint merged · 1.00 · Run 18

1991 Chemical Chameleons: Hydrogen Bonding with Imides and Lactams in Chloroform. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 801–803 · CV · published

801138. Chemical Chameleons: Hydrogen Bonding with Imides and Lactams in Chloroform.802W. L. Jorgensen and D. L. Severance803J. Am. Chem. Soc., 113, 209 (1991).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. L. Severance
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Chemical Chameleons: Hydrogen Bonding with Imides and Lactams in Chloroform.	Chemical chameleons: hydrogen bonding with imides and lactams in chloroform	Chemical chameleons: hydrogen bonding with imides and lactams in chloroform
year cv	1991	1991	1991
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00001a030	10.1021/ja00001a030
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 91
Scholar: 104
DOI: 10.1021/ja00001a030
OpenAlex: W2950351129

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00001a030 and title on chemical chameleons and hydrogen bonding.
doi merged · 1.00 · Run 18

1991 Computational Insights on Intermolecular Interactions and Binding in Solution. Chemtracts - Organic Chemistry article CV OA GS

CV span

lines 824–826 · CV · published

824143. Computational Insights on Intermolecular Interactions and Binding in Solution.825W. L. Jorgensen826Chemtracts - Organic Chemistry, 4, 91-119 (1991). (Feature article.)

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Computational Insights on Intermolecular Interactions and Binding in Solution.	Computational insights on intermolecular interactions and binding in solution
year cv	1991	1991
venue cv	Chemtracts - Organic Chemistry	Chemtracts Org. Chem
kind cv	article	other
first author cv	Jorgensen	Jorgensen

Citations

OpenAlex: none
Scholar: 111

Match decisions

fingerprint merged · 1.00 · Run 18

1991 Computational Studies of FK506: Conformational Search and Molecular Dynamics Simulation in Water. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 828–831 · CV · published

828144. Computational Studies of FK506: Conformational Search and Molecular Dynamics829Simulation in Water.830J. Pranata and W. L. Jorgensen831J. Am. Chem. Soc., 113, 9483 (1991).

Institution fields

Peer reviewed: yes
First author: Pranata
Co-authors: J. Pranata; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Studies of FK506: Conformational Search and Molecular Dynamics Simulation in Water.	Computational studies on FK506: conformational search and molecular dynamics simulation in water
year cv	1991	1991
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00025a010	10.1021/ja00025a010
first author openalex	Pranata	Pranata

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/ja00025a010
OpenAlex: W2951228202

Match decisions

doi merged · 1.00 · Run 18

1991 Computer-Assisted Mechanistic Evaluation of Organic Reactions. 19. Reductions with Hydrides. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 815–818 · CV · published

815141. Computer-Assisted Mechanistic Evaluation of Organic Reactions. 19. Reductions with816Hydrides.817G. D. Paderes, P. Metivier, and W. L. Jorgensen818J. Org. Chem., 56, 4718 (1991).

Institution fields

Peer reviewed: yes
First author: Paderes
Co-authors: G. D. Paderes; P. Metivier; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions. 19. Reductions with Hydrides.	Computer-assisted mechanistic evaluation of organic reactions. 18. Reductions with hydrides
year cv	1991	1991
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00015a028	10.1021/jo00015a028
first author openalex	Paderes	Paderes

Citations

OpenAlex: 24
Scholar: none
DOI: 10.1021/jo00015a028
OpenAlex: W1969994783

Match decisions

doi merged · 1.00 · Run 18

1991 Molecular Dynamics Simulations of the Unfolding of an -Helical Analog of Ribonuclease-A S-Peptide in Water. Biochemistry article journal CV OA GS needs review

CV span

lines 805–808 · CV · published

805139. Molecular Dynamics Simulations of the Unfolding of an -Helical Analog of806Ribonuclease-A S-Peptide in Water.807J. Tirado-Rives and W. L. Jorgensen808Biochemistry, 30, 3864-3871 (1991).

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Molecular Dynamics Simulations of the Unfolding of an -Helical Analog of Ribonuclease-A S-Peptide in Water.	Molecular dynamics simulations of the unfolding of an .alpha.-helical analog of ribonuclease A S-peptide in water	Molecular dynamics simulations of the unfolding of an. alpha.-helical analog of ribonuclease A S-peptide in water
year cv	1991	1991	1991
venue crossref	Biochemistry	Biochemistry	Biochemistry
kind cv	article	article	other
DOI crossref	10.1021/bi00230a009	10.1021/bi00230a009
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 216
Scholar: 268
DOI: 10.1021/bi00230a009
OpenAlex: W2077042715

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups two distinct molecular dynamics unfolding studies by Tirado-Rives and Jorgensen published in Biochemistry (S-peptide vs. apomyoglobin).
doi merged · 1.00 · Run 18

1991 Monte Carlo Simulations of Liquid Acetic Acid and Methyl Acetate with the OPLS Potential Functions. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 796–799 · CV · published

796137. Monte Carlo Simulations of Liquid Acetic Acid and Methyl Acetate with the OPLS797Potential Functions.798J. M. Briggs, T. B. Nguyen, and W. L. Jorgensen799J. Phys. Chem., 95, 3315 (1991).

Institution fields

Peer reviewed: yes
First author: Briggs
Co-authors: J. M. Briggs; T. B. Nguyen; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of Liquid Acetic Acid and Methyl Acetate with the OPLS Potential Functions.	Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions	Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions
year cv	1991	1991	1991
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100161a065	10.1021/j100161a065
first author openalex	Briggs	Briggs	Briggs

Citations

OpenAlex: 158
Scholar: 200
DOI: 10.1021/j100161a065
OpenAlex: W1968077904

Match decisions

gemini merged · 1.00 · Run 18 These records share the DOI 10.1021/j100161a065 and identical titles on Monte Carlo simulations of liquid acetic acid.

1991 Monte Carlo Simulations Yield Absolute Free Energies of Binding for Guanine-Cytosine and Adenine-Uracil Base Pairs in Chloroform. Tetrahedron article journal CV OA GS

CV span

lines 810–813 · CV · published

810140. Monte Carlo Simulations Yield Absolute Free Energies of Binding for Guanine-Cytosine811and Adenine-Uracil Base Pairs in Chloroform.812J. Pranata and W. L. Jorgensen813Tetrahedron, 47, 2491 (1991).

Institution fields

Peer reviewed: yes
First author: Pranata
Co-authors: J. Pranata; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Monte Carlo Simulations Yield Absolute Free Energies of Binding for Guanine-Cytosine and Adenine-Uracil Base Pairs in Chloroform.	Monte Carlo simulations yield absolute free energies of binding for guanine—cytosine and adenine—uracil base pairs in chloroform
year cv	1991	1991
venue crossref	Tetrahedron	Tetrahedron
kind cv	article	article
DOI crossref	10.1016/s0040-4020(01)81783-x	10.1016/s0040-4020(01)81783-x
first author openalex	Pranata	Pranata

Citations

OpenAlex: 31
Scholar: none
DOI: 10.1016/s0040-4020(01)81783-x
OpenAlex: W2043260710

Match decisions

doi merged · 1.00 · Run 18

1991 OPLS Potential Functions for Nucleotide Bases. Relative Association Constants of Hydrogen-Bonded Base Pairs in Chloroform. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 791–794 · CV · published

791136. OPLS Potential Functions for Nucleotide Bases. Relative Association Constants of792Hydrogen-Bonded Base Pairs in Chloroform.793J. Pranata, S. G. Wierschke, and W. L. Jorgensen794J. Am. Chem. Soc., 113, 2810 (1991).

Institution fields

Peer reviewed: yes
First author: Pranata
Co-authors: J. Pranata; S. G. Wierschke; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	OPLS Potential Functions for Nucleotide Bases. Relative Association Constants of Hydrogen-Bonded Base Pairs in Chloroform.	OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform	OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform
year cv	1991	1991	1991
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00008a002	10.1021/ja00008a002
first author openalex	Pranata	Pranata	Pranata

Citations

OpenAlex: 598
Scholar: 835
DOI: 10.1021/ja00008a002
OpenAlex: W2048740371

Match decisions

doi merged · 1.00 · Run 18

1991 Proton Affinities and Gas-phase Basicities of Alkyl and Silyl Ethers. The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 820–822 · CV · published

820142. Proton Affinities and Gas-phase Basicities of Alkyl and Silyl Ethers.821J. F. Blake and W. L. Jorgensen822J. Org. Chem., 56, 6052 (1991).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Proton Affinities and Gas-phase Basicities of Alkyl and Silyl Ethers.	Proton affinities and gas-phase basicities of alkyl and silyl ethers
year cv	1991	1991
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00021a018	10.1021/jo00021a018
first author openalex	Blake	Blake

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1021/jo00021a018
OpenAlex: W1968506718

Match decisions

doi merged · 1.00 · Run 18

1991 Rusting of the Lock and Key Model of Protein-Ligand Binding. Science article journal CV OA GS

CV span

lines 837–839 · CV · published

837146. Rusting of the Lock and Key Model of Protein-Ligand Binding.838W. L. Jorgensen839Science, 254, 954 (1991).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Rusting of the Lock and Key Model of Protein-Ligand Binding.	Rusting of the Lock and Key Model for Protein-Ligand Binding	Rusting of the lock and key model for protein-ligand binding
year cv	1991	1991	1991
venue crossref	Science	Science	Science
kind cv	article	article	other
DOI crossref	10.1126/science.1719636	10.1126/science.1719636
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 229
Scholar: 369
DOI: 10.1126/science.1719636
OpenAlex: W2050159278

Match decisions

doi merged · 1.00 · Run 18

1991 Solvent Effects on a Diels-Alder Reaction from Computer Simulations. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 833–835 · CV · published

833145. Solvent Effects on a Diels-Alder Reaction from Computer Simulations.834J. F. Blake and W. L. Jorgensen835J. Am. Chem. Soc., 113, 7430-7432 (1991).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Solvent Effects on a Diels-Alder Reaction from Computer Simulations.	Solvent effects on a Diels-Alder reaction from computer simulations	Solvent effects on a Diels-Alder reaction from computer simulations
year cv	1991	1991	1991
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00019a055	10.1021/ja00019a055
first author openalex	Blake	Blake	Blake

Citations

OpenAlex: 221
Scholar: 292
DOI: 10.1021/ja00019a055
OpenAlex: W2060149917

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ja00019a055 and title on solvent effects on a Diels-Alder reaction.

1990 Aromatic-Aromatic Interactions: Free Energy Profiles for the Benzene Dimer in Water, Chloroform, and Liquid Benzene. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 768–771 · CV · published

768131. Aromatic-Aromatic Interactions: Free Energy Profiles for the Benzene Dimer in Water,769Chloroform, and Liquid Benzene.770W. L. Jorgensen and D. L. Severance771J. Am. Chem. Soc., 112, 4768 (1990).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; D. L. Severance
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Aromatic-Aromatic Interactions: Free Energy Profiles for the Benzene Dimer in Water, Chloroform, and Liquid Benzene.	Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzene	Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzene
year cv	1990	1990	1990
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00168a022	10.1021/ja00168a022
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 1063
Scholar: 1499
DOI: 10.1021/ja00168a022
OpenAlex: W2047241264

Match decisions

doi merged · 1.00 · Run 18

1990 CAMEO: A Program for the Logical Prediction of the Products of Organic Reactions. Pure and Applied Chemistry article journal CV OA GS

CV span

lines 786–789 · CV · published

786135. CAMEO: A Program for the Logical Prediction of the Products of Organic Reactions.787W. L. Jorgensen, E. R. Laird, A. J. Gushurst, J. M. Fleischer, S. A. Gothe, H. E.788Helson, G. D. Paderes, and S. Sinclair789Pure Appl. Chem., 62, 1921 (1990).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; E. R. Laird; A. J. Gushurst; J. M. Fleischer; S. A. Gothe; H. E. Helson; G. D. Paderes; S. Sinclair
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	CAMEO: A Program for the Logical Prediction of the Products of Organic Reactions.	CAMEO: a program for the logical prediction of the products of organic reactions	CAMEO: a program for the logical prediction of the products of organic reactions
year cv	1990	1990	1990
venue crossref	Pure Appl. Chem.	Pure and Applied Chemistry	Pure and Applied Chemistry	Pure and Applied Chemistry
kind cv	article	article	other
DOI crossref	10.1351/pac199062101921	10.1351/pac199062101921
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 131
Scholar: 178
DOI: 10.1351/pac199062101921
OpenAlex: W2105966118

Match decisions

doi merged · 1.00 · Run 18

1990 Computer Assisted Analysis of Reactions Involving Organic Free Radicals and Diradicals. Journal of Chemical Information and Computer Sciences article journal CV OA GS

CV span

lines 781–784 · CV · published

781134. Computer Assisted Analysis of Reactions Involving Organic Free Radicals and782Diradicals.783E. R. Laird and W. L. Jorgensen784J. Chem. Info. Comput. Sci., 30, 458 (1990).

Institution fields

Peer reviewed: yes
First author: Laird
Co-authors: E. R. Laird; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Analysis of Reactions Involving Organic Free Radicals and Diradicals.	Computer assisted analysis of reactions involving organic free radicals and diradicals
year cv	1990	1990
venue crossref	J. Chem. Info. Comput. Sci.	Journal of Chemical Information and Computer Sciences	Journal of Chemical Information and Computer Sciences
kind cv	article	article
DOI crossref	10.1021/ci00068a018	10.1021/ci00068a018
first author openalex	Laird	Laird

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1021/ci00068a018
OpenAlex: W2156601221

Match decisions

doi merged · 1.00 · Run 18

1990 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 17. Free Radical Chain Reactions. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 749–752 · CV · published

749127. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 17. Free Radical750Chain Reactions.751E. R. Laird and W. L. Jorgensen752J. Org. Chem., 55, 9 (1990).

Institution fields

Peer reviewed: yes
First author: Laird
Co-authors: E. R. Laird; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 17. Free Radical Chain Reactions.	Computer-assisted mechanistic evaluation of organic reactions. 17. Free-radical chain reactions
year cv	1990	1990
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00288a005	10.1021/jo00288a005
first author openalex	Laird	Laird

Citations

OpenAlex: 66
Scholar: none
DOI: 10.1021/jo00288a005
OpenAlex: W1967427251

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1990 Molecular Dynamics of Proteins with the OPLS Potential Functions. Simulation of the Third Domain of Silver Pheasant Ovomucoid in Water Journal of the American Chemical Society article journal CV OA GS

CV span

lines 744–747 · CV · published

744126. Molecular Dynamics of Proteins with the OPLS Potential Functions. Simulation of the745Third Domain of Silver Pheasant Ovomucoid in Water746J. Tirado-Rives and W. L. Jorgensen747J. Am. Chem. Soc., 112, 2773 (1990).

Institution fields

Peer reviewed: yes
First author: Tirado-Rives
Co-authors: J. Tirado-Rives; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Molecular Dynamics of Proteins with the OPLS Potential Functions. Simulation of the Third Domain of Silver Pheasant Ovomucoid in Water	Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water	Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water
year cv	1990	1990	1990
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00163a046	10.1021/ja00163a046
first author openalex	Tirado-Rives	Tirado‐Rives	Tirado-Rives

Citations

OpenAlex: 95
Scholar: 133
DOI: 10.1021/ja00163a046
OpenAlex: W2066196541

Match decisions

doi merged · 1.00 · Run 18

1990 Monte Carlo Simulations of Liquid Alkyl Ethers with the OPLS Potential Functions. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 773–775 · CV · published

773132. Monte Carlo Simulations of Liquid Alkyl Ethers with the OPLS Potential Functions.774J. M. Briggs, T. Matsui, and W. L. Jorgensen775J. Comput. Chem., 11, 958 (1990).

Institution fields

Peer reviewed: yes
First author: Briggs
Co-authors: J. M. Briggs; T. Matsui; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of Liquid Alkyl Ethers with the OPLS Potential Functions.	Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions	Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions
year cv	1990	1990	1990
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of computational chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.540110808	10.1002/jcc.540110808
first author openalex	Briggs	Briggs	Briggs

Citations

OpenAlex: 152
Scholar: 196
DOI: 10.1002/jcc.540110808
OpenAlex: W1973653897

Match decisions

gemini merged · 1.00 · Run 18 These records share the DOI 10.1021/j100161a065 and identical titles on Monte Carlo simulations of liquid acetic acid.

1990 Origin of the Strong Binding of Adenine to a Molecular Tweezer. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 777–779 · CV · published

777133. Origin of the Strong Binding of Adenine to a Molecular Tweezer.778J. F. Blake and W. L. Jorgensen779J. Am. Chem. Soc., 112, 7269 (1990).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Origin of the Strong Binding of Adenine to a Molecular Tweezer.	Origin of the strong binding of adenine to a molecular tweezer
year cv	1990	1990
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00176a029	10.1021/ja00176a029
first author openalex	Blake	Blake

Citations

OpenAlex: 52
Scholar: none
DOI: 10.1021/ja00176a029
OpenAlex: W2093773368

Match decisions

doi merged · 1.00 · Run 18

1990 Relative Partition Coefficients for Organic Solutes from Fluid Simulations. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 754–756 · CV · published

754128. Relative Partition Coefficients for Organic Solutes from Fluid Simulations.755W. L. Jorgensen, J. M. Briggs, and M. L. Contreras756J. Phys. Chem., 94, 1683 (1990).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. M. Briggs; M. L. Contreras
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Relative Partition Coefficients for Organic Solutes from Fluid Simulations.	Relative partition coefficients for organic solutes from fluid simulations	Relative partition coefficients for organic solutes from fluid simulations
year cv	1990	1990	1990
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100367a084	10.1021/j100367a084
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 518
Scholar: 621
DOI: 10.1021/j100367a084
OpenAlex: W2058777775

Match decisions

doi merged · 1.00 · Run 18

1990 Structure and Basicity of Silyl Ethers: A Crystallographic and Ab Initio Inquiry into the Mode of Silicon-Oxygen Interactions. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 758–761 · CV · published

758129. Structure and Basicity of Silyl Ethers: A Crystallographic and Ab Initio Inquiry into the759Mode of Silicon-Oxygen Interactions.760S. Shambayati, J. F. Blake, S. G. Wierschke, W. L. Jorgensen, and S. L. Schreiber761J. Am. Chem. Soc., 112, 697 (1990).

Institution fields

Peer reviewed: yes
First author: Shambayati
Co-authors: S. Shambayati; J. F. Blake; S. G. Wierschke; W. L. Jorgensen; S. L. Schreiber
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Structure and Basicity of Silyl Ethers: A Crystallographic and Ab Initio Inquiry into the Mode of Silicon-Oxygen Interactions.	Structure and basicity of silyl ethers: a crystallographic and ab initio inquiry into the nature of silicon-oxygen interactions	Structure and basicity of silyl ethers: a crystallographic and ab initio inquiry into the nature of silicon-oxygen interactions
year cv	1990	1990	1990
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00158a031	10.1021/ja00158a031
first author openalex	Shambayati	Shambayati	Shambayati

Citations

OpenAlex: 187
Scholar: 274
DOI: 10.1021/ja00158a031
OpenAlex: W2009860588

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/ja00158a031 and title on structure and basicity of silyl ethers.

1990 The Importance of Secondary Interactions in Triply Hydrogen-Bonded Complexes: Guanine-Cytosine vs. Uracil-Diaminopyridine. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 763–766 · CV · published

763130. The Importance of Secondary Interactions in Triply Hydrogen-Bonded Complexes:764Guanine-Cytosine vs. Uracil-Diaminopyridine.765W. L. Jorgensen and J. Pranata766J. Am. Chem. Soc., 112, 2008 (1990).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Pranata
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Importance of Secondary Interactions in Triply Hydrogen-Bonded Complexes: Guanine-Cytosine vs. Uracil-Diaminopyridine.	Importance of secondary interactions in triply hydrogen bonded complexes: guanine-cytosine vs uracil-2,6-diaminopyridine	Importance of secondary interactions in triply hydrogen bonded complexes: guanine-cytosine vs uracil-2, 6-diaminopyridine
year cv	1990	1990	1990
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00161a061	10.1021/ja00161a061
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 520
Scholar: 783
DOI: 10.1021/ja00161a061
OpenAlex: W2007434121

Match decisions

doi merged · 1.00 · Run 18

1989 Ab Initio Investigation of the ß-Silicon Effect on Alkyl and Cyclopropyl Carbenium Ions and Radicals. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 697–700 · CV · published

697116. Ab Initio Investigation of the ß-Silicon Effect on Alkyl and Cyclopropyl Carbenium Ions698and Radicals.699M. R. Ibrahim and W. L. Jorgensen700J. Am. Chem. Soc., 111, 819 (1989).

Institution fields

Peer reviewed: yes
First author: Ibrahim
Co-authors: M. R. Ibrahim; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Ab Initio Investigation of the ß-Silicon Effect on Alkyl and Cyclopropyl Carbenium Ions and Radicals.	Ab initio investigations of the .beta.-silicon effect on alkyl and cyclopropyl carbenium ions and radicals	Ab initio investigations of the. beta.-silicon effect on alkyl and cyclopropyl carbenium ions and radicals
year cv	1989	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00185a005	10.1021/ja00185a005
first author openalex	Ibrahim	Ibrahim	Ibrahim

Citations

OpenAlex: 144
Scholar: 169
DOI: 10.1021/ja00185a005
OpenAlex: W1985474281

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00185a005 and title about the beta-silicon effect.
doi merged · 1.00 · Run 18

1989 A Priori pKa Calculations and the Hydration of Organic Anions. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 718–720 · CV · published

718120. A Priori pKa Calculations and the Hydration of Organic Anions.719W. L. Jorgensen and J. M. Briggs720J. Am. Chem. Soc., 111, 4190-4197 (1989).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. M. Briggs
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Priori pKa Calculations and the Hydration of Organic Anions.	A priori pKa calculations and the hydration of organic anions	A priori pKa calculations and the hydration of organic anions
year cv	1989	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00194a007	10.1021/ja00194a007
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 129
Scholar: 187
DOI: 10.1021/ja00194a007
OpenAlex: W2050546408

Match decisions

doi merged · 1.00 · Run 18

1989 Computer-Assisted Evaluation of Oxidation Reactions. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 693–695 · CV · published

693115. Computer-Assisted Evaluation of Oxidation Reactions.694G. D. Paderes and W. L. Jorgensen695J. Org. Chem., 54, 2058 (1989).

Institution fields

Peer reviewed: yes
First author: Paderes
Co-authors: G. D. Paderes; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Evaluation of Oxidation Reactions.	Computer-assisted evaluation of oxidation reactions
year cv	1989	1989
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00270a014	10.1021/jo00270a014
first author openalex	Paderes	Paderes

Citations

OpenAlex: 13
Scholar: none
DOI: 10.1021/jo00270a014
OpenAlex: W2046075010

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo00270a014 and title on computer-assisted evaluation of oxidation reactions.
doi merged · 1.00 · Run 18

1989 Energetics and Hydration of the Constituent Ion Pairs of Tetramethylammonium Chloride. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 708–711 · CV · published

708118. Energetics and Hydration of the Constituent Ion Pairs of Tetramethylammonium709Chloride.710J. K. Buckner and W. L. Jorgensen711J. Am. Chem. Soc., 111, 2507 (1989).

Institution fields

Peer reviewed: yes
First author: Buckner
Co-authors: J. K. Buckner; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Energetics and Hydration of the Constituent Ion Pairs of Tetramethylammonium Chloride.	Energetics and hydration of the constituent ion pairs of tetramethylammonium chloride	Energetics and hydration of the constituent ion pairs of tetramethylammonium chloride
year cv	1989	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00189a023	10.1021/ja00189a023
first author openalex	Buckner	Buckner	Buckner

Citations

OpenAlex: 128
Scholar: 151
DOI: 10.1021/ja00189a023
OpenAlex: W2087576032

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00189a023 and title on energetics of tetramethylammonium chloride ion pairs.
doi merged · 1.00 · Run 18

1989 Free Energies in Solution - The Aqua Vitae of Computer Simulations. Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications chapter CV OA GS

CV span

lines 702–706 · CV · published

702117. Free Energies in Solution - The Aqua Vitae of Computer Simulations.703W. L. Jorgensen704In "Computer Simulation of Biomolecular Systems: Theoretical and Experimental705Applications", W. F. van Gunsteren and P. Weiner, Eds.; Escom Science Publishers:706Leiden (1989), p 60.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Escom Science Publishers: Leiden
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Free Energies in Solution - The Aqua Vitae of Computer Simulations.
year cv	1989
venue cv	Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications
kind cv	chapter
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1989 Free energy calculations: a breakthrough for modeling organic chemistry in solution Accounts of Chemical Research article journal CV OA GS needs review

CV span

lines 736–738 · CV · unverified · published

736124. Free Energy Calculations, A Breakthrough for Modeling Organic Chemistry in Solution.737W. L. Jorgensen738Acc. Chem. Res., 22, 184-189 (l989).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title openalex	Free Energy Calculations, A Breakthrough for Modeling Organic Chemistry in Solution.	Free energy calculations: a breakthrough for modeling organic chemistry in solution	Free energy calculations: a breakthrough for modeling organic chemistry in solution
year openalex	1989	1989	1989
venue openalex	Acc. Chem. Res.	Accounts of Chemical Research	Accounts of Chemical Research
kind openalex	article	article	other
DOI openalex		10.1021/ar00161a004
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 635
Scholar: 871
DOI: 10.1021/ar00161a004
OpenAlex: W2066787645

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ar00161a004 and title on free energy calculations.
fingerprint merged · 1.00 · Run 18

1989 Free Energy of TIP4P Water and the Free Energies of Hydration of CH4 and Cl- from Statistical Perturbation Theory. Chemical Physics article journal CV OA GS

CV span

lines 688–691 · CV · published

688114. Free Energy of TIP4P Water and the Free Energies of Hydration of CH4 and Cl- from689Statistical Perturbation Theory.690W. L. Jorgensen, J. F. Blake and J. K. Buckner691Chem. Phys., 129, 193 (1989).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. F. Blake; J. K. Buckner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Free Energy of TIP4P Water and the Free Energies of Hydration of CH4 and Cl- from Statistical Perturbation Theory.	Free energy of TIP4P water and the free energies of hydration of CH4 and Cl- from statistical perturbation theory	Free energy of TIP4P water and the free energies of hydration of CH4 and Cl-from statistical perturbation theory
year cv	1989	1989	1989
venue crossref	Chem. Phys.	Chemical Physics	Chemical physics	Chemical Physics
kind cv	article	article	other
DOI crossref	10.1016/0301-0104(89)80004-7	10.1016/0301-0104(89)80004-7
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 194
Scholar: 252
DOI: 10.1016/0301-0104(89)80004-7
OpenAlex: W1965621253

Match decisions

doi merged · 1.00 · Run 18

1989 Interactions Between Amides in Solution and the Thermodynamics of Weak Binding. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 740–742 · CV · published

740125. Interactions Between Amides in Solution and the Thermodynamics of Weak Binding.741W. L. Jorgensen742J. Am. Chem. Soc., 111, 3770 (1989).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Interactions Between Amides in Solution and the Thermodynamics of Weak Binding.	Interactions between amides in solution and the thermodynamics of weak binding	Interactions between amides in solution and the thermodynamics of weak binding
year cv	1989	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00192a057	10.1021/ja00192a057
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 81
Scholar: 120
DOI: 10.1021/ja00192a057
OpenAlex: W1980776518

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 The records share the DOI 10.1021/ja00192a057 and title regarding interactions between amides in solution.
doi merged · 1.00 · Run 18

1989 Molecular Dynamics Simulation of the Third Domain of Silver Pheasant Ovomucoid in Water. Proceedings of the l988 Nobel Symposium, Chem. Scripta conference paper CV OA GS

CV span

lines 731–734 · CV · published

731123. Molecular Dynamics Simulation of the Third Domain of Silver Pheasant Ovomucoid in732Water.733W. L. Jorgensen and J. Tirado-Rives734In "Proceedings of the l988 Nobel Symposium", Chem. Scripta, 29A, 191-196 (1989).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Molecular Dynamics Simulation of the Third Domain of Silver Pheasant Ovomucoid in Water.
year cv	1989
venue cv	Proceedings of the l988 Nobel Symposium, Chem. Scripta
kind cv	conference_paper
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1989 Structure and Binding for Rebek's Diacid in Chloroform. A Demure Host for Pyrazine. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 722–725 · CV · published

722121. Structure and Binding for Rebek's Diacid in Chloroform. A Demure Host for Pyrazine.723W. L. Jorgensen, S. Boudon, and T. B. Nguyen724J. Am. Chem. Soc., 111, 755 (1989).725

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; S. Boudon; T. B. Nguyen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structure and Binding for Rebek's Diacid in Chloroform. A Demure Host for Pyrazine.	Structure and binding for Rebek's diacid in chloroform. A demure host for pyrazine
year cv	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00184a067	10.1021/ja00184a067
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 32
Scholar: none
DOI: 10.1021/ja00184a067
OpenAlex: W2003091413

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00184a067 and title on structure and binding for Rebek's diacid.
doi merged · 1.00 · Run 18

1989 Substituent Effects and Transition Structures for Diels-Alder Reactions of Butadiene and Cyclopentadiene with Cyanoalkenes. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 726–729 · CV · published

726122. Substituent Effects and Transition Structures for Diels-Alder Reactions of Butadiene727and Cyclopentadiene with Cyanoalkenes.728K. N. Houk, R. J. Loncharich, J. F. Blake, and W. L. Jorgensen729J. Am. Chem. Soc., 111, 9172 (1989).

Institution fields

Peer reviewed: yes
First author: Houk
Co-authors: K. N. Houk; R. J. Loncharich; J. F. Blake; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Substituent Effects and Transition Structures for Diels-Alder Reactions of Butadiene and Cyclopentadiene with Cyanoalkenes.	Substituent effects and transition structures for Diels-Alder reactions of butadiene and cyclopentadiene with cyanoalkenes	Substituent effects and transition structures for Diels-Alder reactions of butadiene and cyclopentadiene with cyanoalkenes
year cv	1989	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00208a006	10.1021/ja00208a006
first author openalex	Houk	Houk	Houk

Citations

OpenAlex: 115
Scholar: 160
DOI: 10.1021/ja00208a006
OpenAlex: W1979289155

Match decisions

doi merged · 1.00 · Run 18

1989 Variational Transition State for the Reaction of Cl2C: with Ethylene and the Thermodynamics of Carbene Additions. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 713–716 · CV · published

713119. Variational Transition State for the Reaction of Cl2C: with Ethylene and the714Thermodynamics of Carbene Additions.715J. F. Blake, S. G. Wierschke and W. L. Jorgensen716J. Am. Chem. Soc., 111, 1919 (1989).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; S. G. Wierschke; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Variational Transition State for the Reaction of Cl2C: with Ethylene and the Thermodynamics of Carbene Additions.	Variational transition state for the reaction of Cl2C: with ethylene and the thermodynamics of carbene additions
year cv	1989	1989
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00187a078	10.1021/ja00187a078
first author openalex	Blake	Blake

Citations

OpenAlex: 61
Scholar: none
DOI: 10.1021/ja00187a078
OpenAlex: W1969368736

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00187a078 and title regarding variational transition states for carbene additions.
doi merged · 1.00 · Run 18

1988 Cis/Trans Energy Difference for the Peptide Bond in the Gas Phase and Aqueous Solution. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 674–677 · CV · published

674111. Cis/Trans Energy Difference for the Peptide Bond in the Gas Phase and Aqueous675Solution.676W. L. Jorgensen and J. Gao677J. Am. Chem. Soc., 110, 4212 (1988).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Gao
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Cis/Trans Energy Difference for the Peptide Bond in the Gas Phase and Aqueous Solution.	Cis-trans energy difference for the peptide bond in the gas phase and in aqueous solution	Cis-trans energy difference for the peptide bond in the gas phase and in aqueous solution
year cv	1988	1988	1988
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00221a020	10.1021/ja00221a020
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 216
Scholar: 315
DOI: 10.1021/ja00221a020
OpenAlex: W2005586076

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00221a020 and title on cis/trans energy difference for the peptide bond.
doi merged · 1.00 · Run 18

1988 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X-Activated Anions. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 664–667 · CV · published

664109. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 14. Reactions of665Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X-Activated Anions.666A. J. Gushurst and W. L. Jorgensen667J. Org. Chem., 53, 3397 (1988).

Institution fields

Peer reviewed: yes
First author: Gushurst
Co-authors: A. J. Gushurst; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X-Activated Anions.	Computer-assisted mechanistic evaluation of organic reactions. 14. Reactions of sulfur and phosphorus ylides, iminophosphoranes, and P=X-activated anions
year cv	1988	1988
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00250a001	10.1021/jo00250a001
first author openalex	Gushurst	Gushurst

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1021/jo00250a001
OpenAlex: W2007163515

Match decisions

doi merged · 1.00 · Run 18

1988 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 15. Heterocycle Synthesis. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 669–672 · CV · published

669110. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 15. Heterocycle670Synthesis.671M. G. Bures and W. L. Jorgensen672J. Org. Chem., 53, 2504 (1988).

Institution fields

Peer reviewed: yes
First author: Bures
Co-authors: M. G. Bures; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 15. Heterocycle Synthesis.	Computer-assisted mechanistic evaluation of organic reactions. 15. Heterocycle synthesis
year cv	1988	1988
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00246a020	10.1021/jo00246a020
first author openalex	Bures	Bures

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/jo00246a020
OpenAlex: W1987275914

Match decisions

doi merged · 1.00 · Run 18

1988 Efficient Computation of Absolute Free Energies of Binding by Computer Simulations. Application to the Methane Dimer in Water. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 683–686 · CV · published

683113. Efficient Computation of Absolute Free Energies of Binding by Computer Simulations.684Application to the Methane Dimer in Water.685W. L. Jorgensen, J. K. Buckner, S. Boudon and J. Tirado-Rives686J. Chem. Phys., 89, 3742 (1988).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. K. Buckner; S. Boudon; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Efficient Computation of Absolute Free Energies of Binding by Computer Simulations. Application to the Methane Dimer in Water.	Efficient computation of absolute free energies of binding by computer simulations. Application to the methane dimer in water	Efficient computation of absolute free energies of binding by computer simulations. Application to the methane dimer in water
year cv	1988	1988	1988
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.454895	10.1063/1.454895
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 335
Scholar: 397
DOI: 10.1063/1.454895
OpenAlex: W2073714240

Match decisions

doi merged · 1.00 · Run 18

1988 Energy Profiles for Organic Reactions in Solution. Advances in Chemical Physics article CV OA GS

CV span

lines 645–648 · CV · published

645105. Energy Profiles for Organic Reactions in Solution.646W. L. Jorgensen647648Adv. Chem. Phys., Part II, 70 469 (1988).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Energy Profiles for Organic Reactions in Solution.	Energy Profiles for Organic Reactions in Solution
year cv	1988	1988
venue crossref	Adv. Chem. Phys., Part II, 70 469	Advances in chemical physics	Advances in Chemical Physics
kind cv	article	other
DOI crossref	10.1002/9780470122693.ch10	10.1002/9780470122693.ch10
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 24
Scholar: none
DOI: 10.1002/9780470122693.ch10
OpenAlex: W1498305202

Match decisions

doi merged · 1.00 · Run 18

1988 Modeling Molecular Transformations in Solution. Chemical Reactivity in Liquids chapter CV OA GS

CV span

lines 659–662 · CV · published

659108. Modeling Molecular Transformations in Solution.660W. L. Jorgensen, J. K. Buckner, and J. Gao661In "Chemical Reactivity in Liquids", M. Moreau and P. Turq, Eds.; Plenum Press:662New York (1988); p 253-263.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. K. Buckner; J. Gao
Subfield: other
Method: none
Invited: none
Publisher: Plenum Press: New York
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Modeling Molecular Transformations in Solution.	Modeling Molecular Transformations in Solution
year cv	1988	1988
venue crossref	Chemical Reactivity in Liquids
kind cv	chapter	chapter
DOI crossref	10.1007/978-1-4613-1023-5_22	10.1007/978-1-4613-1023-5_22
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1007/978-1-4613-1023-5_22
OpenAlex: W266624412

Match decisions

doi merged · 1.00 · Run 18

1988 Monte Carlo Simulations of Liquid Acetonitrile with a Three-Site Model. Molecular Physics article journal CV OA GS

CV span

lines 655–657 · CV · published

655107. Monte Carlo Simulations of Liquid Acetonitrile with a Three-Site Model.656W. L. Jorgensen and J. M. Briggs657Molec. Phys., 63, 547 (1988).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. M. Briggs
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of Liquid Acetonitrile with a Three-Site Model.	Monte Carlo simulations of liquid acetonitrile with a three-site model	Monte Carlo simulations of liquid acetonitrile with a three-site model
year cv	1988	1988	1988
venue crossref	Molec. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268978800100371	10.1080/00268978800100371
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 239
Scholar: 283
DOI: 10.1080/00268978800100371
OpenAlex: W2000576273

Match decisions

doi merged · 1.00 · Run 18

1988 The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 650–653 · CV · published

650106. The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic651Peptides and Crambin.652W. L. Jorgensen and J. Tirado-Rives653J. Am. Chem. Soc., 110, 1657-1666 (1988).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Tirado-Rives
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin.	The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin	The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
year cv	1988	1988	1988
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00214a001	10.1021/ja00214a001
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 5078
Scholar: 6648
DOI: 10.1021/ja00214a001
OpenAlex: W2041189078

Match decisions

doi merged · 1.00 · Run 18

1988 Theoretical Examination of Hexanol-Water Interfaces. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 679–681 · CV · published

679112. Theoretical Examination of Hexanol-Water Interfaces.680J. Gao and W. L. Jorgensen681J. Phys. Chem., 92, 5813 (1988).

Institution fields

Peer reviewed: yes
First author: Gao
Co-authors: J. Gao; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Theoretical Examination of Hexanol-Water Interfaces.	Theoretical examination of hexanol-water interfaces	Theoretical examination of hexanol-water interfaces
year cv	1988	1988	1988
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100331a053	10.1021/j100331a053
first author openalex	Gao	Gao	Gao

Citations

OpenAlex: 69
Scholar: 99
DOI: 10.1021/j100331a053
OpenAlex: W2015892888

Match decisions

doi merged · 1.00 · Run 18

1987 Ab Initio Study of the Displacement Reactions of Chloride Ion with Formyl and Acetyl Chloride. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 622–625 · CV · published

622100. Ab Initio Study of the Displacement Reactions of Chloride Ion with Formyl and Acetyl623Chloride.624J. F. Blake and W. L. Jorgensen625J. Am. Chem. Soc., 109, 3856 (1987).

Institution fields

Peer reviewed: yes
First author: Blake
Co-authors: J. F. Blake; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio Study of the Displacement Reactions of Chloride Ion with Formyl and Acetyl Chloride.	Ab initio study of the displacement reactions of chloride ion with formyl and acetyl chloride
year cv	1987	1987
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00247a007	10.1021/ja00247a007
first author openalex	Blake	Blake

Citations

OpenAlex: 58
Scholar: none
DOI: 10.1021/ja00247a007
OpenAlex: W2030893366

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00247a007 and title on ab initio study of displacement reactions with formyl and acetyl chloride.
doi merged · 1.00 · Run 18

1987 Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane Journal of the American Chemical Society article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane	Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane
year openalex	1987	1987
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/ja00242a018
first author openalex	Evanseck	Evanseck

Citations

OpenAlex: 69
Scholar: 108
DOI: 10.1021/ja00242a018
OpenAlex: W2006758337

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00247a007 and title on ab initio study of displacement reactions with formyl and acetyl chloride.
fingerprint merged · 1.00 · Run 18

1987 A General Treatment of Nucleophilic Chemistry. ChemInform article journal CV OA GS needs review

CV span

lines 627–629 · CV · published

627101. A General Treatment of Nucleophilic Chemistry.628P. Metivier, A. J. Gushurst, and W. L. Jorgensen629J. Org. Chem., 52, 3724 (1987).

Institution fields

Peer reviewed: yes
First author: Metivier
Co-authors: P. Metivier; A. J. Gushurst; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	A General Treatment of Nucleophilic Chemistry.	ChemInform Abstract: A General Treatment of Nucleophilic Chemistry.ChemInform Abstract: Computer‐Assisted Evaluation of Oxidation Reactions.ChemInform Abstract: Structure and Binding for Rebek′s Diacid (I) in Chloroform. A Demure Host for Pyrazine.ChemInform Abstract: Ab initio Investigations of the β‐Silicon Effect on Alkyl and Cyclopropyl Carbenium Ions and Radicals.ChemInform Abstract: Variational Transition State for the Reaction of Cl2C: with Ethylene and the Thermodynamics of Carbene AdditionsChemInform Abstract: Interactions Between Amides in Solution and the Thermodynamics of Weak BindingChemInform Abstract: Energetics and Hydration of the Constituent Ion Pairs of Tetramethylammonium ChlorideChemInform Abstract: Free Energy Calculations: A Breakthrough for Modeling Organic Chemistry in SolutionChemInform Abstract: Computer‐Assisted Mechanistic Evaluation of Organic Reactions. Part 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X‐Activated Anions.
year cv	1987	198819891989198919891989198919891989
venue crossref	J. Org. Chem.	ChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInform	ChemInform
kind cv	article	articlearticlearticlearticlearticlearticlearticlearticlearticle
DOI crossref	10.1002/chin.198806085	10.1002/chin.19880608510.1002/chin.19894412010.1002/chin.19891805710.1002/chin.19892005310.1002/chin.19892309210.1002/chin.19893507510.1002/chin.19892705210.1002/chin.19893538010.1002/chin.198901057
first author openalex	Metivier	MétivierPaderesJorgensenIbrahimBlakeJorgensenBucknerJorgensenGushurst

Also recorded as

W2949274676 (DOI 10.1002/chin.198944120) · platform twin · 1989 ChemInform Abstract: Computer‐Assisted Evaluation of Oxidation Reactions.
W2949617726 (DOI 10.1002/chin.198918057) · platform twin · 1989 ChemInform Abstract: Structure and Binding for Rebek′s Diacid (I) in Chloroform. A Demure Host for Pyrazine.
W2949701695 (DOI 10.1002/chin.198920053) · platform twin · 1989 ChemInform Abstract: Ab initio Investigations of the β‐Silicon Effect on Alkyl and Cyclopropyl Carbenium Ions and Radicals.
W2949978690 (DOI 10.1002/chin.198923092) · platform twin · 1989 ChemInform Abstract: Variational Transition State for the Reaction of Cl2C: with Ethylene and the Thermodynamics of Carbene Additions
W2950306399 (DOI 10.1002/chin.198935075) · platform twin · 1989 ChemInform Abstract: Interactions Between Amides in Solution and the Thermodynamics of Weak Binding
W2950631081 (DOI 10.1002/chin.198927052) · platform twin · 1989 ChemInform Abstract: Energetics and Hydration of the Constituent Ion Pairs of Tetramethylammonium Chloride
W2951292758 (DOI 10.1002/chin.198935380) · platform twin · 1989 ChemInform Abstract: Free Energy Calculations: A Breakthrough for Modeling Organic Chemistry in Solution
W2952222033 (DOI 10.1002/chin.198901057) · platform twin · 1989 ChemInform Abstract: Computer‐Assisted Mechanistic Evaluation of Organic Reactions. Part 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X‐Activated Anions.

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1002/chin.198806085
OpenAlex: W2399675025

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ar00161a004 and title on free energy calculations.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00184a067 and title on structure and binding for Rebek's diacid.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00189a023 and title on energetics of tetramethylammonium chloride ion pairs.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo00270a014 and title on computer-assisted evaluation of oxidation reactions.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00187a078 and title regarding variational transition states for carbene additions.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00185a005 and title about the beta-silicon effect.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 The records share the DOI 10.1021/ja00192a057 and title regarding interactions between amides in solution.
doi merged · 1.00 · Run 18

1987 A Priori Calculations of pKa's for Organic Compounds in Water. The pKa of Ethane. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 636–638 · CV · published

636103. A Priori Calculations of pKa's for Organic Compounds in Water. The pKa of Ethane.637W. L. Jorgensen, J. M. Briggs, and J. Gao638J. Am. Chem. Soc., 109, 6857-6858 (1987).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. M. Briggs; J. Gao
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Priori Calculations of pKa's for Organic Compounds in Water. The pKa of Ethane.	A priori calculations of pKa's for organic compounds in water. The pKa of ethane	A priori calculations of pKa's for organic compounds in water. The pKa of ethane
year cv	1987	1987	1987
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00256a053	10.1021/ja00256a053
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 114
Scholar: 163
DOI: 10.1021/ja00256a053
OpenAlex: W150677383

Match decisions

doi merged · 1.00 · Run 18

1987 ChemInform Abstract: Ab initio Study of the SN2 Reactions of OH‐ and OOH‐ with CH3Cl ChemInform article journal CV OA GS needs review

CV span

lines 610–612 · CV · unverified · published

61097. Ab Initio Study of the SN2 Reactions of OH- and OOH- with CH3Cl.611J. D. Evanseck, J. F. Blake, and W. L. Jorgensen612J. Am. Chem. Soc., 109, 2349 (l987).

Institution fields

Peer reviewed: yes
First author: Evanseck
Co-authors: J. D. Evanseck; J. F. Blake; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Ab Initio Study of the SN2 Reactions of OH- and OOH- with CH3Cl.	ChemInform Abstract: Ab initio Study of the SN2 Reactions of OH‐ and OOH‐ with CH3ClChemInform Abstract: Ab initio Study of the Displacement Reactions of Chloride Ion with Formyl and Acetyl Chloride
year openalex	1987	19871987
venue openalex	J. Am. Chem. Soc.	ChemInformChemInform
kind openalex	article	articlearticle
DOI openalex		10.1002/chin.19873410610.1002/chin.198743068
first author openalex	Evanseck	EvanseckBlake

Also recorded as

W2395613761 (DOI 10.1002/chin.198732039) · platform twin · 1987 ChemInform Abstract: Hydration and Energetics for (CH3)3CCl Ion Pairs in Aqueous Solution
W2402620526 (DOI 10.1002/chin.198842038) · platform twin · 1988 ChemInform Abstract: Computer‐Assisted Mechanistic Evaluation of Organic Reactions. Part 15. Heterocycle Synthesis.
W2952142384 (DOI 10.1002/chin.198808060) · platform twin · 1988 ChemInform Abstract: A Priori Calculations of pKa′s for Organic Compounds in Water. The pKa of Ethane.
W2952563233 (DOI 10.1002/chin.198743068) · platform twin · 1987 ChemInform Abstract: Ab initio Study of the Displacement Reactions of Chloride Ion with Formyl and Acetyl Chloride
W2952596563 (DOI 10.1002/chin.198842056) · platform twin · 1988 ChemInform Abstract: Cis‐Trans Energy Difference for the Peptide Bond in the Gas Phase and in Aqueous Solution.
W2952885308 (DOI 10.1002/chin.198710112) · platform twin · 1987 ChemInform Abstract: Computer‐Assisted Mechanistic Evaluations of Organic Reactions. Part 12. pKa Predictions for Organic Compounds in Me2SO.
W4234177867 (DOI 10.1002/chin.198650057) · platform twin · 1986 ChemInform Abstract: Ab initio Study of Structures and Binding Energies for Anion‐Water Complexes

Citations

OpenAlex: 2
Scholar: none
DOI: 10.1002/chin.198734106
OpenAlex: W2400164198

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00247a007 and title on ab initio study of displacement reactions with formyl and acetyl chloride.

1987 Computational Investigations of Organic Reaction Mechanisms: Nucleophilic Reactions of Carbonyl Compounds. ACS Symposium Series chapter CV OA GS

CV span

lines 631–634 · CV · published

631102. Computational Investigations of Organic Reaction Mechanisms: Nucleophilic Reactions632of Carbonyl Compounds.633W. L. Jorgensen, J. F. Blake, J. D. Madura, and S. G. Wierschke634ACS Symposium Ser., 353, 200 (1987).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. F. Blake; J. D. Madura; S. G. Wierschke
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computational Investigations of Organic Reaction Mechanisms: Nucleophilic Reactions of Carbonyl Compounds.	Computational Investigations of Organic Reaction Mechanisms
year cv	1987	1987
venue crossref	ACS Symposium Ser., 353, 200	ACS symposium series	ACS Symposium Series
kind cv	chapter	other
DOI crossref	10.1021/bk-1987-0353.ch012	10.1021/bk-1987-0353.ch012
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1021/bk-1987-0353.ch012
OpenAlex: W2506229422

Match decisions

doi merged · 1.00 · Run 18

1987 Energy Profiles for (CH3)3CCl Ion Pairs in Aqueous Solution. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 618–620 · CV · published

61899. Energy Profiles for (CH3)3CCl Ion Pairs in Aqueous Solution.619W. L. Jorgensen, J. K. Buckner, S. E. Huston, and P. J. Rossky620J. Am. Chem. Soc., 109, 1891 (1987).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. K. Buckner; S. E. Huston; P. J. Rossky
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Energy Profiles for (CH3)3CCl Ion Pairs in Aqueous Solution.
year cv	1987
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00241a001 and title on hydration and energetics of tert-butyl chloride ion pairs.

1987 Hydration and energetics for tert-butyl chloride ion pairs in aqueous solution Journal of the American Chemical Society article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Hydration and energetics for tert-butyl chloride ion pairs in aqueous solution	Hydration and energetics for tert-butyl chloride ion pairs in aqueous solution
year openalex	1987	1987
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/ja00241a001
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 102
Scholar: 164
DOI: 10.1021/ja00241a001
OpenAlex: W2077125698

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00241a001 and title on hydration and energetics of tert-butyl chloride ion pairs.
fingerprint merged · 1.00 · Run 18

1987 Network Topology in Simulated Water. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 614–616 · CV · published

61498. Network Topology in Simulated Water.615R. J. Speedy, J. D. Madura, and W. L. Jorgensen616J. Phys. Chem., 91, 909 (1987).

Institution fields

Peer reviewed: yes
First author: Speedy
Co-authors: R. J. Speedy; J. D. Madura; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Network Topology in Simulated Water.	Network topology in simulated water	Network topology in simulated water
year cv	1987	1987	1987
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100288a029	10.1021/j100288a029
first author openalex	Speedy	Speedy	Speedy

Citations

OpenAlex: 129
Scholar: 169
DOI: 10.1021/j100288a029
OpenAlex: W1967971379

Match decisions

doi merged · 1.00 · Run 18

1987 Use of Statistical Perturbation Theory for Computing Solvent Effects on Molecular Conformation. Butane in Water. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 640–643 · CV · published

640104. Use of Statistical Perturbation Theory for Computing Solvent Effects on Molecular641Conformation. Butane in Water.642W. L. Jorgensen and J. K. Buckner643J. Phys. Chem., 91, 6083 (1987).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. K. Buckner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Use of Statistical Perturbation Theory for Computing Solvent Effects on Molecular Conformation. Butane in Water.	Use of statistical perturbation theory for computing solvent effects on molecular conformation: butane in water	Use of statistical perturbation theory for computing solvent effects on molecular conformation: butane in water
year cv	1987	1987	1987
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100308a003	10.1021/j100308a003
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 84
Scholar: 111
DOI: 10.1021/j100308a003
OpenAlex: W2066315281

Match decisions

doi merged · 1.00 · Run 18

1986 Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 578–581 · CV · unverified · published

57890. Ab Initio and Monte Carlo Calculations for a Nucleophilic Addition Reaction in the Gas579Phase and in Aqueous Solution.580J. D. Madura and W. L. Jorgensen581J. Am. Chem. Soc., l08, 2517 (l986).

Institution fields

Peer reviewed: yes
First author: Madura
Co-authors: J. D. Madura; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title openalex	Ab Initio and Monte Carlo Calculations for a Nucleophilic Addition Reaction in the Gas Phase and in Aqueous Solution.	Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution	Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution
year openalex	1986	1986	1986
venue openalex	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	article	other
DOI openalex		10.1021/ja00270a005
first author openalex	Madura	Madura	Madura

Citations

OpenAlex: 186
Scholar: 285
DOI: 10.1021/ja00270a005
OpenAlex: W1973659809

Match decisions

fingerprint merged · 1.00 · Run 18

1986 Ab Initio Study of the Structures and Binding Energies of Anion-Water Complexes. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 596–598 · CV · published

59694. Ab Initio Study of the Structures and Binding Energies of Anion-Water Complexes.597J. Gao, D. S. Garner, and W. L. Jorgensen598J. Am. Chem. Soc., 108, 4784 (1986).

Institution fields

Peer reviewed: yes
First author: Gao
Co-authors: J. Gao; D. S. Garner; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Ab Initio Study of the Structures and Binding Energies of Anion-Water Complexes.	Ab initio study of structures and binding energies for anion-water complexes	Ab initio study of structures and binding energies for anion-water complexes
year cv	1986	1986	1986
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00276a016	10.1021/ja00276a016
first author openalex	Gao	Gao	Gao

Citations

OpenAlex: 126
Scholar: 165
DOI: 10.1021/ja00276a016
OpenAlex: W2079487294

Match decisions

gemini merged · 1.00 · Run 18 Both records share the DOI 10.1021/j100234a014 and title on ab initio study of aluminum monocation complexes.

1986 Computer-assisted mechanistic evaluation of organic reactions. 12. pKa predictions for organic compounds in Me2SO The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 587–590 · CV · unverified · published

58792. Computer-Assisted Mechanistic Evaluation of Organic Reactions, l2. pKa Predictions for588Organic Compounds in DMSO.589A. J. Gushurst and W. L. Jorgensen590J. Org. Chem., 5l, 3513 (l986).

Institution fields

Peer reviewed: yes
First author: Gushurst
Co-authors: A. J. Gushurst; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Computer-Assisted Mechanistic Evaluation of Organic Reactions, l2. pKa Predictions for Organic Compounds in DMSO.	Computer-assisted mechanistic evaluation of organic reactions. 12. pKa predictions for organic compounds in Me2SO
year openalex	1986	1986
venue openalex	J. Org. Chem.	The Journal of Organic Chemistry
kind openalex	article	article
DOI openalex		10.1021/jo00368a023
first author openalex	Gushurst	Gushurst

Citations

OpenAlex: 29
Scholar: none
DOI: 10.1021/jo00368a023
OpenAlex: W2016306465

Match decisions

fingerprint merged · 1.00 · Run 18

1986 Computer Simulation of Chemical and Biomolecular Systems. Annals of the New York Academy of Sciences, Vol. 482 edited volume CV OA GS

CV span

lines 606–608 · CV · published

60696. Computer Simulation of Chemical and Biomolecular Systems.607D. L. Beveridge and W. L. Jorgensen, Eds.608Annals of the New York Academy of Sciences, Vol. 482 (1986).

Institution fields

Peer reviewed: yes
First author: Beveridge
Co-authors: D. L. Beveridge; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Computer Simulation of Chemical and Biomolecular Systems.	Computer simulation of chemical and biomolecular systems.
year cv	1986	1986
venue cv	Annals of the New York Academy of Sciences, Vol. 482	PubMed
kind cv	edited_volume	article
first author openalex	Beveridge	Beveridge

Citations

OpenAlex: 38
Scholar: none
OpenAlex: W1516512480

Match decisions

fingerprint merged · 1.00 · Run 18

1986 Computer Simulations of Organic Reactions in Solutiona Annals of the New York Academy of Sciences article journal CV OA GS needs review

CV span

lines 583–585 · CV · unverified · published

5839l. Computer Simulations of Organic Reactions in Solution.584W. L. Jorgensen, J. Chandrasekhar, J. K. Buckner, and J. D. Madura585Ann. N. Y. Acad. Sci., 482, 198 (l986).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Chandrasekhar; J. K. Buckner; J. D. Madura
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Computer Simulations of Organic Reactions in Solution.	Computer Simulations of Organic Reactions in Solutiona
year openalex	1986	1986
venue openalex	Ann. N. Y. Acad. Sci.	Annals of the New York Academy of Sciences
kind openalex	article	article
DOI openalex		10.1111/j.1749-6632.1986.tb20951.x
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 36
Scholar: none
DOI: 10.1111/j.1749-6632.1986.tb20951.x
OpenAlex: W1990548824

Match decisions

fingerprint merged · 1.00 · Run 18

1986 Effect of hydration on the structure of an SN2 transition state The Journal of Physical Chemistry article journal CV OA GS needs review

CV span

lines 592–594 · CV · unverified · published

59293. Effect of Hydration on the Structure of an SN2 Transition State.593W. L. Jorgensen and J. K. Buckner594J. Phys. Chem., 90, 4651 (l986).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. K. Buckner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Effect of Hydration on the Structure of an SN2 Transition State.	Effect of hydration on the structure of an SN2 transition state
year openalex	1986	1986
venue openalex	J. Phys. Chem.	The Journal of Physical Chemistry
kind openalex	article	article
DOI openalex		10.1021/j100410a037
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1021/j100410a037
OpenAlex: W2020404327

Match decisions

fingerprint merged · 1.00 · Run 18

1986 Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds The Journal of Physical Chemistry article journal CV OA GS needs review

CV span

lines 600–604 · CV · unverified · published

60095. Intermolecular Potential Functions and Monte Carlo Simulations for Liquid Sulfur601Compounds.602603W. L. Jorgensen604J. Phys. Chem., 90, 6379 (l986).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title openalex	Intermolecular Potential Functions and Monte Carlo Simulations for Liquid Sulfur Compounds.	Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds	Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds
year openalex	1986	1986	1986
venue openalex	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind openalex	article	article	other
DOI openalex		10.1021/j100281a063
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 153
Scholar: 193
DOI: 10.1021/j100281a063
OpenAlex: W2048315308

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/j100398a015 and title on optimized intermolecular potential functions for liquid alcohols.

1986 Monte Carlo Simulations of the Hydration of Ammonium and Carboxylate Ions. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 570–572 · CV · published

57088. Monte Carlo Simulations of the Hydration of Ammonium and Carboxylate Ions.571W. L. Jorgensen and J. Gao572J. Phys. Chem., 90, 2174 (1986).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Gao
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of the Hydration of Ammonium and Carboxylate Ions.	Monte Carlo simulations of the hydration of ammonium and carboxylate ions	Monte Carlo simulations of the hydration of ammonium and carboxylate ions
year cv	1986	1986	1986
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100401a037	10.1021/j100401a037
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 311
Scholar: 415
DOI: 10.1021/j100401a037
OpenAlex: W2033869281

Match decisions

classified merged · 1.00 · Run 18 resolved by the OpenAlex classification: excluded

1986 Optimized Intermolecular Potential Functions for Liquid Alcohols. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 574–576 · CV · published

57489. Optimized Intermolecular Potential Functions for Liquid Alcohols.575W. L. Jorgensen576J. Phys. Chem., 90, 1276 (1986).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimized Intermolecular Potential Functions for Liquid Alcohols.	Optimized intermolecular potential functions for liquid alcohols	Optimized intermolecular potential functions for liquid alcohols
year cv	1986	1986	1986
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100398a015	10.1021/j100398a015
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 1160
Scholar: 1518
DOI: 10.1021/j100398a015
OpenAlex: W2063187261

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/j100398a015 and title on optimized intermolecular potential functions for liquid alcohols.

1985 Additions and Corrections - Optimized Intermolecular Potential Functions for Amides and Peptides. Hydration of Amides. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 534–537 · CV · unverified · published

53480. Optimized Intermolecular Potential Functions for Amides and Peptides. Hydration of535Amides.536W. L. Jorgensen and C. J. Swenson537J. Am. Chem. Soc., 107, 1489, 5025 (l985).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; C. J. Swenson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title openalex	Optimized Intermolecular Potential Functions for Amides and Peptides. Hydration of Amides.	Additions and Corrections - Optimized Intermolecular Potential Functions for Amides and Peptides. Hydration of Amides.Optimized intermolecular potential functions for amides and peptides. Hydration of amides	Optimized intermolecular potential functions for amides and peptides. Hydration of amides
year openalex	1985	19851985	1985
venue openalex	J. Am. Chem. Soc.	Journal of the American Chemical SocietyJournal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	articlearticle	other
DOI openalex		10.1021/ja00303a60310.1021/ja00292a007
first author openalex	Jorgensen	JorgensenJorgensen	Jorgensen

Also recorded as

W2023585673 (DOI 10.1021/ja00292a007) · same title · 1985 Optimized intermolecular potential functions for amides and peptides. Hydration of amides

Citations

OpenAlex: 0
Scholar: 324
DOI: 10.1021/ja00303a603
OpenAlex: W2006676332

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/j100398a015 and title on optimized intermolecular potential functions for liquid alcohols.

1985 Computer-Assisted Mechanistic Evaluation of Organic Reactions,10. Stereochemistry. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 543–545 · CV · published

54382. Computer-Assisted Mechanistic Evaluation of Organic Reactions,10. Stereochemistry.544C. E. Peishoff and W. L. Jorgensen545J. Org. Chem., 50, 3174 (1985).

Institution fields

Peer reviewed: yes
First author: Peishoff
Co-authors: C. E. Peishoff; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions,10. Stereochemistry.	Computer-assisted mechanistic evaluation of organic reactions. 10. Stereochemistry
year cv	1985	1985
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00217a032	10.1021/jo00217a032
first author openalex	Peishoff	Peishoff

Citations

OpenAlex: 9
Scholar: none
DOI: 10.1021/jo00217a032
OpenAlex: W2025326367

Match decisions

doi merged · 1.00 · Run 18

1985 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 11. Electrophilic Aromatic Substitution. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 556–560 · CV · published

55685. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 11. Electrophilic557558Aromatic Substitution.559M. G. Bures, B. L. Roos-Kozel, and W. L. Jorgensen560J. Org. Chem., 50, 4490 (1985).

Institution fields

Peer reviewed: yes
First author: Bures
Co-authors: M. G. Bures; B. L. Roos-Kozel; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 11. Electrophilic Aromatic Substitution.	Computer-assisted mechanistic evaluation of organic reactions. 11. Electrophilic aromatic substitution
year cv	1985	1985
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00223a015	10.1021/jo00223a015
first author openalex	Bures	Bures

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1021/jo00223a015
OpenAlex: W1984976926

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1985 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 9. Reactions of Unsaturated Electrophiles Including Nucleophilic Aromatic Substitution. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 529–532 · CV · published

52979. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 9. Reactions of530Unsaturated Electrophiles Including Nucleophilic Aromatic Substitution.531C. E. Peishoff and W. L. Jorgensen532J. Org. Chem., 50, 1056 (1985).

Institution fields

Peer reviewed: yes
First author: Peishoff
Co-authors: C. E. Peishoff; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 9. Reactions of Unsaturated Electrophiles Including Nucleophilic Aromatic Substitution.	Computer-assisted mechanistic evaluation of organic reactions. 9. Reactions of unsaturated electrophiles including nucleophilic aromatic substitution
year cv	1985	1985
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00207a030	10.1021/jo00207a030
first author openalex	Peishoff	Peishoff

Citations

OpenAlex: 13
Scholar: none
DOI: 10.1021/jo00207a030
OpenAlex: W2054157899

Match decisions

doi merged · 1.00 · Run 18

1985 Delta Plots - A New Way to Visualize Electronic Excitation. Journal of Chemical Education article journal CV OA GS

CV span

lines 514–517 · CV · published

51476. Delta Plots - A New Way to Visualize Electronic Excitation.515H. Morrison, W. L. Jorgensen, B. Bigot, D. Severance,516Y. Munoz-Sola, R. Strommen, and B. Pandey517J. Chem. Educ., 62, 298 (1985).

Institution fields

Peer reviewed: yes
First author: Morrison
Co-authors: H. Morrison; W. L. Jorgensen; B. Bigot; D. Severance; Y. Munoz-Sola; R. Strommen; B. Pandey
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Delta Plots - A New Way to Visualize Electronic Excitation.	"Delta plots"—A new way to visualize electronic excitation
year cv	1985	1985
venue crossref	J. Chem. Educ.	Journal of Chemical Education	Journal of Chemical Education
kind cv	article	article
DOI crossref	10.1021/ed062p298	10.1021/ed062p298
first author openalex	Morrison	Morrison

Citations

OpenAlex: 4
Scholar: none
DOI: 10.1021/ed062p298
OpenAlex: W2015941434

Match decisions

doi merged · 1.00 · Run 18

1985 Energy Profile for a Non-Concerted SN2 Reaction in Solution. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 547–549 · CV · published

54783. Energy Profile for a Non-Concerted SN2 Reaction in Solution.548J. Chandrasekhar and W. L. Jorgensen549J. Am. Chem. Soc., 107, 2974 (1985).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Energy Profile for a Non-Concerted SN2 Reaction in Solution.	Energy profile for a nonconcerted SN2 reaction in solution	Energy profile for a nonconcerted SN2 reaction in solution
year cv	1985	1985	1985
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00296a024	10.1021/ja00296a024
first author openalex	Chandrasekhar	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 152
Scholar: 203
DOI: 10.1021/ja00296a024
OpenAlex: W1967097295

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00296a024 and title on energy profile for a non-concerted SN2 reaction.
doi merged · 1.00 · Run 18

1985 Magnitude and Origin of the ß-Silicon Effect on Carbenium Ions. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 539–541 · CV · published

53981. Magnitude and Origin of the ß-Silicon Effect on Carbenium Ions.540S. G. Wierschke, J. Chandrasekhar, and W. L. Jorgensen541J. Am. Chem. Soc., 107, 1496 (1985).

Institution fields

Peer reviewed: yes
First author: Wierschke
Co-authors: S. G. Wierschke; J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Magnitude and Origin of the ß-Silicon Effect on Carbenium Ions.	Magnitude and origin of the .beta.-silicon effect on carbenium ions	Magnitude and origin of the. beta.-silicon effect on carbenium ions
year cv	1985	1985	1985
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00292a008	10.1021/ja00292a008
first author openalex	Wierschke	Wierschke	Wierschke

Citations

OpenAlex: 279
Scholar: 392
DOI: 10.1021/ja00292a008
OpenAlex: W2023146112

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00292a008 and title on the beta-silicon effect on carbenium ions.
doi merged · 1.00 · Run 18

1985 Monte Carlo Simulation of Differences in Free Energies of Hydration. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 562–564 · CV · published

56286. Monte Carlo Simulation of Differences in Free Energies of Hydration.563W. L. Jorgensen and C. Ravimohan564J. Chem. Phys., 83, 3050-3054 (1985).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; C. Ravimohan
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulation of Differences in Free Energies of Hydration.	Monte Carlo simulation of differences in free energies of hydration	Monte Carlo simulation of differences in free energies of hydration
year cv	1985	1985	1985
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.449208	10.1063/1.449208
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 741
Scholar: 978
DOI: 10.1063/1.449208
OpenAlex: W2092956715

Match decisions

doi merged · 1.00 · Run 18

1985 Monte Carlo Simulations of Alkanes in Water: Hydration Numbers and the Hydrophobic Effect. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 551–554 · CV · published

55184. Monte Carlo Simulations of Alkanes in Water: Hydration Numbers and the Hydrophobic552Effect.553W. L. Jorgensen, J. Gao, and C. Ravimohan554J. Phys. Chem., 89, 3470 (1985).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Gao; C. Ravimohan
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulations of Alkanes in Water: Hydration Numbers and the Hydrophobic Effect.	Monte Carlo simulations of alkanes in water: hydration numbers and the hydrophobic effect	Monte Carlo simulations of alkanes in water: hydration numbers and the hydrophobic effect
year cv	1985	1985	1985
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100262a010	10.1021/j100262a010
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 182
Scholar: 244
DOI: 10.1021/j100262a010
OpenAlex: W2024163549

Match decisions

doi merged · 1.00 · Run 18

1985 Optimized Intermolecular Potential Functions for Amides and Peptides. Structure and Properties of Liquid Amides. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 524–527 · CV · published

52478. Optimized Intermolecular Potential Functions for Amides and Peptides. Structure and525Properties of Liquid Amides.526W. L. Jorgensen and C. J. Swenson527J. Am. Chem. Soc., 107, 569 (1985).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; C. J. Swenson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimized Intermolecular Potential Functions for Amides and Peptides. Structure and Properties of Liquid Amides.	Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amides	Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amides
year cv	1985	1985	1985
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00289a008	10.1021/ja00289a008
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 368
Scholar: 479
DOI: 10.1021/ja00289a008
OpenAlex: W1991215536

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/j100398a015 and title on optimized intermolecular potential functions for liquid alcohols.

1985 Temperature and Size Dependence for Monte Carlo Simulations of TIP4P Water. Molecular Physics article journal CV OA GS

CV span

lines 566–568 · CV · published

56687. Temperature and Size Dependence for Monte Carlo Simulations of TIP4P Water.567W. L. Jorgensen and J. D. Madura568Mol. Phys, 56, 1381 (1985).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. D. Madura
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Temperature and Size Dependence for Monte Carlo Simulations of TIP4P Water.	Temperature and size dependence for Monte Carlo simulations of TIP4P water	Temperature and size dependence for Monte Carlo simulations of TIP4P water
year cv	1985	1985	1985
venue crossref	Mol. Phys	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268978500103111	10.1080/00268978500103111
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 800
Scholar: 1132
DOI: 10.1080/00268978500103111
OpenAlex: W2067200099

Match decisions

doi merged · 1.00 · Run 18

1985 Theoretical Examination of the SN2 Reaction Involving Chloride Ion and Methyl Chloride in the Gas Phase and Aqueous Solution. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 519–522 · CV · published

51977. Theoretical Examination of the SN2 Reaction Involving Chloride Ion and Methyl Chloride520in the Gas Phase and Aqueous Solution.521J. Chandrasekhar, S. F. Smith, and W. L. Jorgensen522J. Am. Chem. Soc., 107, 154 (1985).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; S. F. Smith; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Theoretical Examination of the SN2 Reaction Involving Chloride Ion and Methyl Chloride in the Gas Phase and Aqueous Solution.	Theoretical examination of the SN2 reaction involving chloride ion and methyl chloride in the gas phase and aqueous solution	Theoretical examination of the SN2 reaction involving chloride ion and methyl chloride in the gas phase and aqueous solution
year cv	1985	1985	1985
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00287a028	10.1021/ja00287a028
first author openalex	Chandrasekhar	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 387
Scholar: 522
DOI: 10.1021/ja00287a028
OpenAlex: W2015798177

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00287a028 and title on theoretical examination of SN2 reaction involving chloride ion.
doi merged · 1.00 · Run 18

1984 An Improved Intermolecular Potential Function for Simulations of Liquid Hydrogen Fluoride. Molecular Physics article journal CV OA GS

CV span

lines 488–491 · CV · published

48870. An Improved Intermolecular Potential Function for Simulations of Liquid Hydrogen489Fluoride.490M. E. Cournoyer and W. L. Jorgensen491Mol. Phys., 51, 119 (1984).

Institution fields

Peer reviewed: yes
First author: Cournoyer
Co-authors: M. E. Cournoyer; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	An Improved Intermolecular Potential Function for Simulations of Liquid Hydrogen Fluoride.	An improved intermolecular potential function for simulations of liquid hydrogen fluoride	An improved intermolecular potential function for simulations of liquid hydrogen fluoride
year cv	1984	1984	1984
venue crossref	Mol. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268978400100081	10.1080/00268978400100081
first author openalex	Cournoyer	Cournoyer	Cournoyer

Citations

OpenAlex: 109
Scholar: 132
DOI: 10.1080/00268978400100081
OpenAlex: W2073682983

Match decisions

doi merged · 1.00 · Run 18

1984 Energy Component Analysis for the Hydration of Li+, Na+, F-,and Cl-. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 471–473 · CV · published

47166. Energy Component Analysis for the Hydration of Li+, Na+, F-,and Cl-.472J. Chandrasekhar, D. C. Spellmeyer, and W. L. Jorgensen473J. Am. Chem. Soc., 106, 903 (1984).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; D. C. Spellmeyer; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Energy Component Analysis for the Hydration of Li+, Na+, F-,and Cl-.
year cv	1984
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Chandrasekhar

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1984 General Treatment of Periselectivity. J. Org. Chem. article journal CV OA GS needs review

CV span

lines 502–504 · CV · published

50273. General Treatment of Periselectivity.503J. S. Burnier and W. L. Jorgensen504J. Org. Chem., 49, 3001 (1984).

Institution fields

Peer reviewed: yes
First author: Burnier
Co-authors: J. S. Burnier; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	General Treatment of Periselectivity.
year cv	1984
venue cv	J. Org. Chem.
kind cv	article
first author cv	Burnier

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1984 Optimized Intermolecular Potential Functions for Liquid Hydrocarbons. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 510–512 · CV · published

51075. Optimized Intermolecular Potential Functions for Liquid Hydrocarbons.511W. L. Jorgensen, J. D. Madura, and C. J. Swenson512J. Am. Chem. Soc., 106, 6638-6646 (1984).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. D. Madura; C. J. Swenson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimized Intermolecular Potential Functions for Liquid Hydrocarbons.	Optimized intermolecular potential functions for liquid hydrocarbons	Optimized intermolecular potential functions for liquid hydrocarbons
year cv	1984	1984	1984
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00334a030	10.1021/ja00334a030
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 2365
Scholar: 2941
DOI: 10.1021/ja00334a030
OpenAlex: W2031107710

Match decisions

gemini merged · 1.00 · Run 18 Records share the DOI 10.1021/j100398a015 and title on optimized intermolecular potential functions for liquid alcohols.

1984 SN2 Reaction Profiles in the Gas Phase and Aqueous Solution. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 506–508 · CV · published

50674. SN2 Reaction Profiles in the Gas Phase and Aqueous Solution.507J. Chandrasekhar, S. F. Smith, and W. L. Jorgensen508J. Am. Chem. Soc., 106, 3049 (1984).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; S. F. Smith; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	SN2 Reaction Profiles in the Gas Phase and Aqueous Solution.	SN2 reaction profiles in the gas phase and aqueous solution	SN2 reaction profiles in the gas phase and aqueous solution
year cv	1984	1984	1984
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00322a059	10.1021/ja00322a059
first author openalex	Chandrasekhar	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 265
Scholar: 336
DOI: 10.1021/ja00322a059
OpenAlex: W2072441471

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00322a059 and title on SN2 reaction profiles.
doi merged · 1.00 · Run 18

1984 Solvent Effects on the Relative Energies of Carbonium Ions. Solvation and Internal Rotation of the Allyl Cation in Liquid Hydrogen Fluoride. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 497–500 · CV · published

49772. Solvent Effects on the Relative Energies of Carbonium Ions. Solvation and Internal498Rotation of the Allyl Cation in Liquid Hydrogen Fluoride.499M. E. Cournoyer and W. L. Jorgensen500J. Am. Chem. Soc., 106, 5104 (1984).

Institution fields

Peer reviewed: yes
First author: Cournoyer
Co-authors: M. E. Cournoyer; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Solvent Effects on the Relative Energies of Carbonium Ions. Solvation and Internal Rotation of the Allyl Cation in Liquid Hydrogen Fluoride.	Solvent effects on the relative energies of carbonium ions. Solvation and internal rotation for the allyl cation in liquid hydrogen fluoride
year cv	1984	1984
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00330a012	10.1021/ja00330a012
first author openalex	Cournoyer	Cournoyer

Citations

OpenAlex: 22
Scholar: none
DOI: 10.1021/ja00330a012
OpenAlex: W2010202802

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00330a012 and title on solvent effects on the relative energies of carbonium ions.
doi merged · 1.00 · Run 18

1984 Torsional Effects in the Baeyer-Villiger Oxidation. Tetrahedron Letters article journal CV OA GS needs review

CV span

lines 493–495 · CV · published

49371. Torsional Effects in the Baeyer-Villiger Oxidation.494S. N. Suryawanshi, C. Swenson, W. L. Jorgensen, and P. L. Fuchs495Tetrahedron Lett., 25, 1859 (1984).

Institution fields

Peer reviewed: yes
First author: Suryawanshi
Co-authors: S. N. Suryawanshi; C. Swenson; W. L. Jorgensen; P. L. Fuchs
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Torsional Effects in the Baeyer-Villiger Oxidation.	Torsional effects in the baeyer-villiger oxidation
year cv	1984	1984
venue crossref	Tetrahedron Lett.	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/s0040-4039(01)90060-7	10.1016/s0040-4039(01)90060-7
first author openalex	Suryawanshi	Suryawanshi

Citations

OpenAlex: 4
Scholar: none
DOI: 10.1016/s0040-4039(01)90060-7
OpenAlex: W2020994817

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1016/s0040-4039(01)90060-7 and title on torsional effects in the Baeyer-Villiger oxidation.
doi merged · 1.00 · Run 18

1983 Ab Initio Study of the Structures and Binding Energies of Aluminum Monocation Complexes. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 450–453 · CV · published

45062. Ab Initio Study of the Structures and Binding Energies of Aluminum Monocation451Complexes.452S. F. Smith, J. Chandrasekhar and W. L. Jorgensen453J. Phys. Chem., 87, 1898 (1983).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: S. F. Smith; J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio Study of the Structures and Binding Energies of Aluminum Monocation Complexes.	Ab initio study of the structures and binding energies of aluminum monocation complexes
year cv	1983	1983
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article
DOI crossref	10.1021/j100234a014	10.1021/j100234a014
first author openalex	Smith	Smith

Citations

OpenAlex: 22
Scholar: none
DOI: 10.1021/j100234a014
OpenAlex: W2075930827

Match decisions

gemini merged · 1.00 · Run 18 Both records share the DOI 10.1021/j100234a014 and title on ab initio study of aluminum monocation complexes.

1983 Comparison of Simple Potential Functions for Simulating Liquid Water. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 466–469 · CV · published

46665. Comparison of Simple Potential Functions for Simulating Liquid Water.467W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein468469J. Chem. Phys., 79, 926 (1983).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. Chandrasekhar; J. D. Madura; R. W. Impey; M. L. Klein
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Comparison of Simple Potential Functions for Simulating Liquid Water.	Comparison of simple potential functions for simulating liquid water	Comparison of simple potential functions for simulating liquid water
year cv	1983	1983	1983
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.445869	10.1063/1.445869
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 42746
Scholar: 48999
DOI: 10.1063/1.445869
OpenAlex: W1976499671

Match decisions

doi merged · 1.00 · Run 18

1983 Computer Assisted Analysis of Organic Reactions. Kagaku article CV OA GS needs review

CV span

lines 475–477 · CV · published

47567. Computer Assisted Analysis of Organic Reactions.476W. L. Jorgensen477Kagaku, 38, 483 (1983).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Computer Assisted Analysis of Organic Reactions.
year cv	1983
venue cv	Kagaku
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1983 Computer-Assisted Mechanistic Evaluation of Organic Reactions. 4. Organosilicon Chemistry. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 455–458 · CV · published

45563. Computer-Assisted Mechanistic Evaluation of Organic Reactions. 4. Organosilicon456Chemistry.457C. E. Peishoff and W. L. Jorgensen458J. Org. Chem., 48, 1970 (1983).

Institution fields

Peer reviewed: yes
First author: Peishoff
Co-authors: C. E. Peishoff; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions. 4. Organosilicon Chemistry.	Computer-assisted mechanistic evaluation of organic reactions. 4. Organosilicon chemistry
year cv	1983	1983
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00160a006	10.1021/jo00160a006
first author openalex	Peishoff	Peishoff

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1021/jo00160a006
OpenAlex: W2950211870

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1983 Computer Assisted Mechanistic Evaluation of Organic Reactions. 7. Six Electron Cycloadditions. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 479–482 · CV · published

47968. Computer Assisted Mechanistic Evaluation of Organic Reactions. 7. Six Electron480Cycloadditions.481J. A. Schmidt and W. L. Jorgensen482J. Org. Chem., 48, 3923 (1983).

Institution fields

Peer reviewed: yes
First author: Schmidt
Co-authors: J. A. Schmidt; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions. 7. Six Electron Cycloadditions.	Computer-assisted mechanistic evaluation of organic reactions. 7. Six electron cycloadditions
year cv	1983	1983
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00170a010	10.1021/jo00170a010
first author openalex	Schmidt	Schmidt

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1021/jo00170a010
OpenAlex: W2950156598

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1983 Impey RW and Klein ML J. Chem. Phys article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Impey RW and Klein ML
year scholar			1983
venue scholar			J. Chem. Phys.
kind scholar			other
first author scholar			Jorgensen

Citations

OpenAlex: none
Scholar: 115

Match decisions

No decision recorded; a single record.

1983 Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water Journal of the American Chemical Society article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water	Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water
year openalex	1983	1983
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/ja00344a001
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 453
Scholar: 548
DOI: 10.1021/ja00344a001
OpenAlex: W2013754612

Match decisions

fingerprint merged · 1.00 · Run 18

1983 Solvation and Conformation of Methanol in Water. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 429–431 · CV · published

42957. Solvation and Conformation of Methanol in Water.430W. L. Jorgensen and J. D. Madura431J. Am. Chem. Soc., 105, 1407 (1983).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. D. Madura
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Solvation and Conformation of Methanol in Water.
year cv	1983
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.

1983 Theoretical Studies of Medium Effects on Conformational Equilibria. (Feature Article) The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 484–486 · CV · published

48469. Theoretical Studies of Medium Effects on Conformational Equilibria. (Feature Article)485W. L. Jorgensen486J. Phys. Chem., 87, 5304 (1983).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Theoretical Studies of Medium Effects on Conformational Equilibria. (Feature Article)	Theoretical studies of medium effects on conformational equilibria	Theoretical studies of medium effects on conformational equilibria
year cv	1983	1983	1983
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j150644a002	10.1021/j150644a002
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 224
Scholar: 297
DOI: 10.1021/j150644a002
OpenAlex: W2089434536

Match decisions

doi merged · 1.00 · Run 18

1983 The Origin and Consequences of Alkene Pyramidalization in Ground and Triplet Excited States. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 460–464 · CV · published

46064. The Origin and Consequences of Alkene Pyramidalization in Ground and Triplet Excited461States.462K. N. Houk, N. G. Rondan, F. Brown, J. D. Madura, D. C.463Spellmeyer, and W. L. Jorgensen464J. Am. Chem. Soc., 105, 5980 (1983).

Institution fields

Peer reviewed: yes
First author: Houk
Co-authors: K. N. Houk; N. G. Rondan; F. Brown; J. D. Madura; D. C. Spellmeyer; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Origin and Consequences of Alkene Pyramidalization in Ground and Triplet Excited States.	Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states	Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states
year cv	1983	1983	1983
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00357a004	10.1021/ja00357a004
first author openalex	Houk	Houk	Houk

Citations

OpenAlex: 87
Scholar: 146
DOI: 10.1021/ja00357a004
OpenAlex: W2053484176

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00357a004 and subject matter regarding alkene pyramidalization.
doi merged · 1.00 · Run 18

1982 Ab Initio Study of Acid-Base Interactions. Proton, Lithium and Sodium Affinities of First and Second Row Bases. The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 415–418 · CV · published

41554. Ab Initio Study of Acid-Base Interactions. Proton, Lithium and Sodium Affinities of First416and Second Row Bases.417S. F. Smith, J. Chandrasekhar, and W. L. Jorgensen418J. Phys. Chem., 86, 3308 (1982).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: S. F. Smith; J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Ab Initio Study of Acid-Base Interactions. Proton, Lithium and Sodium Affinities of First and Second Row Bases.	Ab initio study of acid-base interactions. Proton, lithium, and sodium affinities of first- and second-row bases	Ab initio study of acid-base interactions. Proton, lithium, and sodium affinities of first-and second-row bases
year cv	1982	1982	1982
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	article	other
DOI crossref	10.1021/j100214a010	10.1021/j100214a010
first author openalex	Smith	Smith	Smith

Citations

OpenAlex: 97
Scholar: 121
DOI: 10.1021/j100214a010
OpenAlex: W2088372335

Match decisions

doi merged · 1.00 · Run 18

1982 Convergence of Monte Carlo Simulations of Liquid Water in the NPT Ensemble. Chemical Physics Letters article journal CV OA GS

CV span

lines 441–443 · CV · published

44160. Convergence of Monte Carlo Simulations of Liquid Water in the NPT Ensemble.442W. L. Jorgensen443Chem. Phys. Letts., 92, 405 (1982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Convergence of Monte Carlo Simulations of Liquid Water in the NPT Ensemble.	Convergence of Monte Carlo simulations of liquid water in the NPT ensemble	Convergence of Monte Carlo simulations of liquid water in the NPT ensemble
year cv	1982	1982	1982
venue crossref	Chem. Phys. Letts.	Chemical Physics Letters	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	article	other
DOI crossref	10.1016/0009-2614(82)83437-4	10.1016/0009-2614(82)83437-4
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 67
Scholar: 98
DOI: 10.1016/0009-2614(82)83437-4
OpenAlex: W1974084010

Match decisions

doi merged · 1.00 · Run 18

1982 Fluoranthene: Synthesis and Biological Testing of Four Diol Epoxides. J. Org. Chem. article journal CV OA GS needs review

CV span

lines 420–423 · CV · published

42055. Fluoranthene: Synthesis and Biological Testing of Four Diol Epoxides.421W. H. Rastetter, R. B. Nachbar, S. Russo-Rodriguez, R. V. Wattley, W. G. Thilly, B.422M. Andon, W. L. Jorgensen, and M. Ibrahim423J. Org. Chem., 47, 4873 (1982).

Institution fields

Peer reviewed: yes
First author: Rastetter
Co-authors: W. H. Rastetter; R. B. Nachbar; S. Russo-Rodriguez; R. V. Wattley; W. G. Thilly; B. M. Andon; W. L. Jorgensen; M. Ibrahim
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Fluoranthene: Synthesis and Biological Testing of Four Diol Epoxides.
year cv	1982
venue cv	J. Org. Chem.
kind cv	article
first author cv	Rastetter

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1982 Monte Carlo Simulation of n-Butane in Water. Conformational Evidence for the Hydrophobic Effect. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 445–448 · CV · published

44561. Monte Carlo Simulation of n-Butane in Water. Conformational Evidence for the446Hydrophobic Effect.447W. L. Jorgensen448J. Chem. Phys., 77, 5757 (1982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Monte Carlo Simulation of n-Butane in Water. Conformational Evidence for the Hydrophobic Effect.	Monte Carlo simulation of n-butane in water. Conformational evidence for the hydrophobic effect	Monte Carlo simulation of n‐butane in water. Conformational evidence for the hydrophobic effect
year cv	1982	1982	1982
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.443732	10.1063/1.443732
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 117
Scholar: 180
DOI: 10.1063/1.443732
OpenAlex: W2063649399

Match decisions

doi merged · 1.00 · Run 18

1982 Monte Carlo Simulations of Liquid Tetrahydrofuran Including Pseudorotation. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 433–435 · CV · published

43358. Monte Carlo Simulations of Liquid Tetrahydrofuran Including Pseudorotation.434J. Chandrasekhar and W. L. Jorgensen435J. Chem. Phys., 77, 5073 (1982).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Simulations of Liquid Tetrahydrofuran Including Pseudorotation.	Monte Carlo simulations of liquid tetrahydrofuran including pseudorotation
year cv	1982	1982
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref	10.1063/1.443681	10.1063/1.443681
first author openalex	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 53
Scholar: none
DOI: 10.1063/1.443681
OpenAlex: W2029702867

Match decisions

doi merged · 1.00 · Run 18

1982 Pressure Dependence of the Mixing of Enantiomeric Liquids, l,2-Dichloropropane. J. Phys. Chem. article journal CV OA GS needs review

CV span

lines 411–413 · CV · published

41153. Pressure Dependence of the Mixing of Enantiomeric Liquids, l,2-Dichloropropane.412W. L. Jorgensen and B. Bigot413J. Phys. Chem., 86, 2867 (1982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; B. Bigot
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Pressure Dependence of the Mixing of Enantiomeric Liquids, l,2-Dichloropropane.
year cv	1982
venue cv	J. Phys. Chem.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1982 Quantum and statistical mechanical studies of liquids. 20. Pressure dependence of hydrogen bonding in liquid methanol Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 403–405 · CV · unverified · published

4035l. Pressure Dependence of Hydrogen Bonding in Liquid Methanol.404W. L. Jorgensen and M. Ibrahim405J. Am. Chem. Soc., 104, 373 (l982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. Ibrahim
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	Pressure Dependence of Hydrogen Bonding in Liquid Methanol.	Quantum and statistical mechanical studies of liquids. 20. Pressure dependence of hydrogen bonding in liquid methanol
year openalex	1982	1982
venue openalex	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind openalex	article	article
DOI openalex		10.1021/ja00366a001
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 60
Scholar: none
DOI: 10.1021/ja00366a001
OpenAlex: W2950073162

Match decisions

fingerprint merged · 1.00 · Run 18

1982 Quantum and statistical mechanical studies of liquids. 21. The nature of dilute solutions of sodium and methoxide ions in methanol Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 407–409 · CV · unverified · published

40752. The Nature of Dilute Solutions of Sodium and Methoxide Ions in Methanol.408W. L. Jorgensen, B. Bigot, and J. Chandrasekhar409J. Am. Chem. Soc., 104, 4584 (l982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; B. Bigot; J. Chandrasekhar
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	The Nature of Dilute Solutions of Sodium and Methoxide Ions in Methanol.	Quantum and statistical mechanical studies of liquids. 21. The nature of dilute solutions of sodium and methoxide ions in methanol
year openalex	1982	1982
venue openalex	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind openalex	article	article
DOI openalex		10.1021/ja00381a013
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 54
Scholar: none
DOI: 10.1021/ja00381a013
OpenAlex: W3004513922

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
fingerprint merged · 1.00 · Run 18

1982 Revised TIPS for Simulations of Liquid Water and Aqueous Solutions. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 425–427 · CV · published

42556. Revised TIPS for Simulations of Liquid Water and Aqueous Solutions.426W. L. Jorgensen427J. Chem. Phys., 77, 4156 (1982).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Revised TIPS for Simulations of Liquid Water and Aqueous Solutions.	Revised TIPS for simulations of liquid water and aqueous solutions	Revised TIPS for simulations of liquid water and aqueous solutions
year cv	1982	1982	1982
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.444325	10.1063/1.444325
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 501
Scholar: 678
DOI: 10.1063/1.444325
OpenAlex: W2082433219

Match decisions

doi merged · 1.00 · Run 18

1982 The Nature of Dilute Solutions of Sodium Ion in Water, Methanol, and THF. The Journal of Chemical Physics article journal CV OA GS needs review

CV span

lines 437–439 · CV · published

43759. The Nature of Dilute Solutions of Sodium Ion in Water, Methanol, and THF.438J. Chandrasekhar and W. L. Jorgensen439J. Chem. Phys., 77, 5080 (1982).

Institution fields

Peer reviewed: yes
First author: Chandrasekhar
Co-authors: J. Chandrasekhar; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Nature of Dilute Solutions of Sodium Ion in Water, Methanol, and THF.	The nature of dilute solutions of sodium ion in water, methanol, and tetrahydrofuran	The nature of dilute solutions of sodium ion in water, methanol, and tetrahydrofuran
year cv	1982	1982	1982
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.443682	10.1063/1.443682
first author openalex	Chandrasekhar	Chandrasekhar	Chandrasekhar

Citations

OpenAlex: 113
Scholar: 139
DOI: 10.1063/1.443682
OpenAlex: W2040567039

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1981 Ab Initio Studies of RO-...HOR' Complexes. Solvent Effects on the Relative Acidities of Water and Methanol. Journal of Computational Chemistry article journal CV OA GS

CV span

lines 357–360 · CV · published

35741. Ab Initio Studies of RO-...HOR' Complexes. Solvent Effects on the Relative Acidities of358Water and Methanol.359W. L. Jorgensen and M. Ibrahim360J. Comput. Chem., 2, 7 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. Ibrahim
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio Studies of RO-...HOR' Complexes. Solvent Effects on the Relative Acidities of Water and Methanol.	Ab initio studies of RO− … HOR′ complexes. Solvent effects on the relative acidities of water and methanol
year cv	1981	1981
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article
DOI crossref	10.1002/jcc.540020103	10.1002/jcc.540020103
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1002/jcc.540020103
OpenAlex: W2000753184

Match decisions

doi merged · 1.00 · Run 18

1981 Comment on Simulations of Liquid Ammonia Based on Quantum Mechanical Potential Functions. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 398–401 · CV · published

39850. Comment on Simulations of Liquid Ammonia Based on Quantum Mechanical Potential399Functions.400W. L. Jorgensen401J. Chem. Phys., 75, 2026 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Comment on Simulations of Liquid Ammonia Based on Quantum Mechanical Potential Functions.	Comment on simulations of liquid ammonia based on quantum mechanical potential functions
year cv	1981	1981
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref	10.1063/1.442239	10.1063/1.442239
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 6
Scholar: none
DOI: 10.1063/1.442239
OpenAlex: W1964395614

Match decisions

doi merged · 1.00 · Run 18

1981 Computer Assisted Mechanistic Evaluation of Organic Reactions, 2. Perception of Rings, Aromaticity, and Tautomers. Journal of Chemical Information and Computer Sciences article journal CV OA GS needs review

CV span

lines 352–355 · CV · published

35240. Computer Assisted Mechanistic Evaluation of Organic Reactions, 2. Perception of Rings,353Aromaticity, and Tautomers.354B. L. Roos-Kozel and W. L. Jorgensen355J. Chem. Info. Comp. Sci., 21, l0l (1981).

Institution fields

Peer reviewed: yes
First author: Roos-Kozel
Co-authors: B. L. Roos-Kozel; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions, 2. Perception of Rings, Aromaticity, and Tautomers.	Computer-assisted mechanistic evaluation of organic reactions. 2. Perception of rings, aromaticity, and tautomers
year cv	1981	1981
venue crossref	J. Chem. Info. Comp. Sci.	Journal of Chemical Information and Computer Sciences	Journal of Chemical Information and Computer Sciences
kind cv	article	article
DOI crossref	10.1021/ci00030a010	10.1021/ci00030a010
first author openalex	Roos-Kozel	Roos-Kozel

Citations

OpenAlex: 22
Scholar: none
DOI: 10.1021/ci00030a010
OpenAlex: W2028413239

Match decisions

doi merged · 1.00 · Run 18

1981 Computer-Assisted Mechanistic Evaluation of Organic Reactions, 3. Ylid Chemistry and the Organometallic Chemistry of Li, Mg, and Lithium Cuprates. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 393–396 · CV · published

39349. Computer-Assisted Mechanistic Evaluation of Organic Reactions, 3. Ylid Chemistry and394the Organometallic Chemistry of Li, Mg, and Lithium Cuprates.395T. D. Salatin, D. McLaughlin, and W. L. Jorgensen396J. Org. Chem., 46, 5284 (1981).

Institution fields

Peer reviewed: yes
First author: Salatin
Co-authors: T. D. Salatin; D. McLaughlin; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Mechanistic Evaluation of Organic Reactions, 3. Ylid Chemistry and the Organometallic Chemistry of Li, Mg, and Lithium Cuprates.	Computer-assisted mechanistic evaluation of organic reactions. 3. Ylide chemistry and the organometallic chemistry of lithium, magnesium, and lithium cuprates
year cv	1981	1981
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00339a006	10.1021/jo00339a006
first author openalex	Salatin	Salatin

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1021/jo00339a006
OpenAlex: W2949217507

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1981 Internal Rotation in Liquid 1,2-Dichloroethane and n-Butane. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 366–368 · CV · published

36643. Internal Rotation in Liquid 1,2-Dichloroethane and n-Butane.367W. L. Jorgensen368J. Am. Chem. Soc., 103, 677-679 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Internal Rotation in Liquid 1,2-Dichloroethane and n-Butane.	Internal rotation in liquid 1,2-dichloroethane and n-butane
year cv	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00393a034	10.1021/ja00393a034
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 33
Scholar: none
DOI: 10.1021/ja00393a034
OpenAlex: W3005108533

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00393a034 and title on internal rotation in liquid 1,2-dichloroethane and n-butane.
doi merged · 1.00 · Run 18

1981 On the Existence of Homoaromaticity and Bicycloaromaticity in Carbanions. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 362–364 · CV · published

36242. On the Existence of Homoaromaticity and Bicycloaromaticity in Carbanions.363J. B. Grutzner and W. L. Jorgensen364J. Am. Chem. Soc., 103, 1372 (1981).

Institution fields

Peer reviewed: yes
First author: Grutzner
Co-authors: J. B. Grutzner; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	On the Existence of Homoaromaticity and Bicycloaromaticity in Carbanions.
year cv	1981
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Grutzner

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00396a013 and title on homoaromaticity in carbanions.

1981 Pressure Dependence of the Structure and Properties of Liquid n-Butane. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 384–386 · CV · published

38447. Pressure Dependence of the Structure and Properties of Liquid n-Butane.385W. L. Jorgensen386J. Am. Chem. Soc., 103, 4721 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Pressure Dependence of the Structure and Properties of Liquid n-Butane.	Pressure dependence of the structure and properties of liquid n-butane	Pressure dependence of the structure and properties of liquid n-butane
year cv	1981	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00406a010	10.1021/ja00406a010
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 66
Scholar: 95
DOI: 10.1021/ja00406a010
OpenAlex: W2066575705

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00406a010 and title on pressure dependence of liquid n-butane.
doi merged · 1.00 · Run 18

1981 PULSAR: A Personalized Microcomputer-Based System for Keyword Search and Retrieval of Literature Information. Journal of Chemical Information and Computer Sciences article journal CV OA GS

CV span

lines 388–391 · CV · published

38848. PULSAR: A Personalized Microcomputer-Based System for Keyword Search and389Retrieval of Literature Information.390S. F. Smith, W. L. Jorgensen, and P. L. Fuchs391J. Chem. Info. Comput. Sci., 21, 209 (1981).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: S. F. Smith; W. L. Jorgensen; P. L. Fuchs
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	PULSAR: A Personalized Microcomputer-Based System for Keyword Search and Retrieval of Literature Information.	PULSAR: a personalized microcomputer-based system for keyword search and retrieval of literature information
year cv	1981	1981
venue crossref	J. Chem. Info. Comput. Sci.	Journal of Chemical Information and Computer Sciences	Journal of Chemical Information and Computer Sciences
kind cv	article	article
DOI crossref	10.1021/ci00032a006	10.1021/ci00032a006
first author openalex	Smith	Smith

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1021/ci00032a006
OpenAlex: W1980893767

Match decisions

doi merged · 1.00 · Run 18

1981 Sampling Methods for Monte Carlo Simulations of n-Butane in Dilute Solution. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 380–382 · CV · published

38046. Sampling Methods for Monte Carlo Simulations of n-Butane in Dilute Solution.381B. Bigot and W. L. Jorgensen382J. Chem. Phys., 75, l944 (1981).

Institution fields

Peer reviewed: yes
First author: Bigot
Co-authors: B. Bigot; W. L. Jorgensen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Sampling Methods for Monte Carlo Simulations of n-Butane in Dilute Solution.	Sampling methods for Monte Carlo simulations of n-butane in dilute solution
year cv	1981	1981
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref	10.1063/1.442219	10.1063/1.442219
first author openalex	Bigot	Bigot

Citations

OpenAlex: 44
Scholar: none
DOI: 10.1063/1.442219
OpenAlex: W2068781425

Match decisions

doi merged · 1.00 · Run 18

1981 Simulation of Liquid Ethanol Including Internal Rotation. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 348–350 · CV · published

34839. Simulation of Liquid Ethanol Including Internal Rotation.349W. L. Jorgensen350J. Am. Chem. Soc., 103, 345-350 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Simulation of Liquid Ethanol Including Internal Rotation.	Quantum and statistical mechanical studies of liquids. 12. Simulation of liquid ethanol including internal rotation	Simulation of Liquid Ethanol Including Internal Rotation
year cv	1981	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00392a018	10.1021/ja00392a018
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 76
Scholar: 99
DOI: 10.1021/ja00392a018
OpenAlex: W2949896711

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00392a018 and title on simulation of liquid ethanol.
doi merged · 1.00 · Run 18

1981 Structures and Properties of Organic Liquids: n-Alkyl Ethers and Their Conformational Equilibria. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 375–378 · CV · published

37545. Structures and Properties of Organic Liquids: n-Alkyl Ethers and Their Conformational376Equilibria.377W. L. Jorgensen and M. Ibrahim378J. Am. Chem. Soc., 103, 3976-3985 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. Ibrahim
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structures and Properties of Organic Liquids: n-Alkyl Ethers and Their Conformational Equilibria.	Structures and properties of organic liquids: n-alkyl ethers and their conformational equilibriums
year cv	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00404a003	10.1021/ja00404a003
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 55
Scholar: none
DOI: 10.1021/ja00404a003
OpenAlex: W3005209068

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1981 Structures and Properties of Organic Liquids: n-Butane and 1,2-Dichloroethane and Their Conformational Equilibria. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 370–373 · CV · published

37044. Structures and Properties of Organic Liquids: n-Butane and 1,2-Dichloroethane and Their371Conformational Equilibria.372W. L. Jorgensen, R. C. Binning, Jr., and B. Bigot373J. Am. Chem. Soc., 103, 4393-4399 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; R. C. Binning, Jr.; B. Bigot
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Structures and Properties of Organic Liquids: n-Butane and 1,2-Dichloroethane and Their Conformational Equilibria.	Structures and properties of organic liquids: n-butane and 1,2-dichloroethane and their conformation equilibriums	Structures and properties of organic liquids: n-butane and 1, 2-dichloroethane and their conformation equilibriums
year cv	1981	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00405a018	10.1021/ja00405a018
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 85
Scholar: 118
DOI: 10.1021/ja00405a018
OpenAlex: W3005063467

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
doi merged · 1.00 · Run 18

1981 Transferable Intermolecular Potential Functions. Application to Liquid Methanol Including Internal Rotation. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 343–346 · CV · published

34338. Transferable Intermolecular Potential Functions. Application to Liquid Methanol344Including Internal Rotation.345W. L. Jorgensen346J. Am. Chem. Soc., 103, 341-345 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Transferable Intermolecular Potential Functions. Application to Liquid Methanol Including Internal Rotation.	Quantum and statistical mechanical studies of liquids. 11. Transferable intermolecular potential functions. Application to liquid methanol including internal rotation	Transferable Intermolecular Potential Functions. Application to Liquid Methanol Including Internal Rotation.
year cv	1981	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00392a017	10.1021/ja00392a017
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 160
Scholar: 208
DOI: 10.1021/ja00392a017
OpenAlex: W2950135346

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1981 Transferable Intermolecular Potential Functions for Water, Alcohols, and Ethers. Application to Liquid Water. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 337–341 · CV · published

33737. Transferable Intermolecular Potential Functions for Water, Alcohols, and338Ethers. Application to Liquid Water.339340W. L. Jorgensen341J. Am. Chem. Soc., 103, 335-340 (1981).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Transferable Intermolecular Potential Functions for Water, Alcohols, and Ethers. Application to Liquid Water.	Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water	Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
year cv	1981	1981	1981
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00392a016	10.1021/ja00392a016
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 1314
Scholar: 1503
DOI: 10.1021/ja00392a016
OpenAlex: W343086395

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1980 Computer Assisted Mechanistic Evaluation of Organic Reactions, l. Overview. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 333–335 · CV · published

33336. Computer Assisted Mechanistic Evaluation of Organic Reactions, l. Overview.334T. D. Salatin and W. L. Jorgensen335J. Org. Chem., 45, 2043 (1980).

Institution fields

Peer reviewed: yes
First author: Salatin
Co-authors: T. D. Salatin; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Computer Assisted Mechanistic Evaluation of Organic Reactions, l. Overview.	Computer-assisted mechanistic evaluation of organic reactions. 1. Overview	Computer-assisted mechanistic evaluation of organic reactions. 1. Overview
year cv	1980	1980	1980
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article	other
DOI crossref	10.1021/jo01299a001	10.1021/jo01299a001
first author openalex	Salatin	Salatin	Salatin

Citations

OpenAlex: 144
Scholar: 194
DOI: 10.1021/jo01299a001
OpenAlex: W2014731568

Match decisions

doi merged · 1.00 · Run 18

1980 Monte Carlo Results for Hydrogen Bond Distributions in Liquid Water. Chemical Physics Letters article journal CV OA GS

CV span

lines 329–331 · CV · published

32935. Monte Carlo Results for Hydrogen Bond Distributions in Liquid Water.330W. L. Jorgensen331Chem. Phys. Lett., 70, 326 (1980).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Results for Hydrogen Bond Distributions in Liquid Water.	Monte carlo results for hydrogen bond distributions in liquid water
year cv	1980	1980
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	article
DOI crossref	10.1016/0009-2614(80)85344-9	10.1016/0009-2614(80)85344-9
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 53
Scholar: none
DOI: 10.1016/0009-2614(80)85344-9
OpenAlex: W2008704811

Match decisions

doi merged · 1.00 · Run 18

1980 Quantum and statistical mechanical studies of liquids. 7. Structure and properties of liquid methanol Journal of the American Chemical Society article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Quantum and statistical mechanical studies of liquids. 7. Structure and properties of liquid methanol	Quantum and statistical mechanical studies of liquids. 7. Structure and properties of liquid methanol
year openalex	1980	1980
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/ja00522a018
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 145
Scholar: 197
DOI: 10.1021/ja00522a018
OpenAlex: W109330918

Match decisions

fingerprint merged · 1.00 · Run 18

1980 The Structure and Properties of Liquid Ammonia. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 325–327 · CV · published

32534. The Structure and Properties of Liquid Ammonia.326W. L. Jorgensen and M. Ibrahim327J. Am. Chem. Soc., 102, 3309-3315 (1980).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. Ibrahim
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Structure and Properties of Liquid Ammonia.	Structure and properties of liquid ammonia	Structure and properties of liquid ammonia
year cv	1980	1980	1980
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja00530a001	10.1021/ja00530a001
first author openalex	Jorgensen	Jorgensen	Jorgensen

Citations

OpenAlex: 92
Scholar: 130
DOI: 10.1021/ja00530a001
OpenAlex: W2056786977

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1980 The Structure and Properties of Liquid Methanol. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 321–323 · CV · published

32133. The Structure and Properties of Liquid Methanol.322W. L. Jorgensen323J. Am. Chem. Soc., 102, 543 (1980).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	The Structure and Properties of Liquid Methanol.
year cv	1980
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.

1979 An Intermolecular Potential Function for the Methanol Dimer from Ab Initio Calculations. Chemischer Informationsdienst article journal CV OA GS needs review

CV span

lines 316–319 · CV · published

31632. An Intermolecular Potential Function for the Methanol Dimer from Ab Initio317Calculations.318W. L. Jorgensen319J. Chem. Phys., 71, 5034 (1979).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	An Intermolecular Potential Function for the Methanol Dimer from Ab Initio Calculations.	ChemInform Abstract: STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS: N‐BUTANE AND 1,2‐DICHLOROETHANE AND THEIR CONFORMATION EQUILIBRIUMSChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 2. MONTE‐CARLO SIMULATIONS OF LIQUID HYDROGEN FLUORIDEChemInform Abstract: STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS: N‐ALKYL ETHERS AND THEIR CONFORMATIONAL EQUILIBRIUMSChemInform Abstract: AN INTERMOLECULAR POTENTIAL FUNCTION FOR THE METHANOL DIMER FROM AB INITIO CALCULATIONSChemInform Abstract: INTERNAL ROTATION IN LIQUID 1,2‐DICHLOROETHANE AND N‐BUTANEChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 11. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS. APPLICATION TO LIQUID METHANOL INCLUDING INTERNAL ROTATIONChemInform Abstract: MINIMAL BASIS SET DESCRIPTION OF THE STRUCTURE AND PROPERTIES OF LIQUID WATERChemInform Abstract: HOMOAROMATICITY AND BICYCLOAROMATICITY IN CARBANIONSChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 7. STRUCTURE AND PROPERTIES OF LIQUID METHANOLChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS. APPLICATION TO LIQUID WATERChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 3. DERIVING INTERMOLECULAR POTENTIAL FUNCTIONS FOR THE WATER DIMER FROM AB INITIO CALCULATIONSChemInform Abstract: PHOTOELECTRON SPECTRA OF THE 1,2,5,6‐TETRAMETHYL‐3,4,7,8‐TETRAMETHYLENE DERIVATIVES OF TRICYCLO(3.3.0.02,6)OCTANE AND TRICYCLO(4.2.0.02,5)OCTANEChemInform Abstract: COMPUTER‐ASSISTED MECHANISTIC EVALUATION OF ORGANIC REACTIONS. 1. OVERVIEWChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 12. SIMULATION OF LIQUID ETHANOL INCLUDING INTERNAL ROTATIONChemInform Abstract: PRESSURE DEPENDENCE OF THE STRUCTURE AND PROPERTIES OF LIQUID N‐BUTANEChemInform Abstract: STRUCTURE AND PROPERTIES OF LIQUID AMMONIA	Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
year cv	1979	1981197919811980198119811979198119801981197919791980198119811980	1981
venue crossref	J. Chem. Phys.	ChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInformChemInform		Chemischer Informationsdienst
kind cv	article	articlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticlearticle	other
DOI crossref	10.1002/chin.198014073	10.1002/chin.19814305710.1002/chin.19791000610.1002/chin.19814205710.1002/chin.19801407310.1002/chin.19812106210.1002/chin.19811707010.1002/chin.19792900410.1002/chin.19812705210.1002/chin.19801707110.1002/chin.19811706910.1002/chin.19792900310.1002/chin.19792804410.1002/chin.19804610810.1002/chin.19811707110.1002/chin.19814606410.1002/chin.198031008
first author openalex	Jorgensen	JorgensenJorgensenJorgensenJorgensenJorgensenJorgensenJorgensenGrutznerJorgensenJorgensenJorgensenBordenSOLATINJorgensenJorgensenJorgensen	Jorgensen

Also recorded as

W2344669220 (DOI 10.1002/chin.198143057) · platform twin · 1981 ChemInform Abstract: STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS: N‐BUTANE AND 1,2‐DICHLOROETHANE AND THEIR CONFORMATION EQUILIBRIUMS
W2949348627 (DOI 10.1002/chin.197910006) · platform twin · 1979 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 2. MONTE‐CARLO SIMULATIONS OF LIQUID HYDROGEN FLUORIDE
W2949516807 (DOI 10.1002/chin.198142057) · platform twin · 1981 ChemInform Abstract: STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS: N‐ALKYL ETHERS AND THEIR CONFORMATIONAL EQUILIBRIUMS
W2950683972 (DOI 10.1002/chin.198121062) · platform twin · 1981 ChemInform Abstract: INTERNAL ROTATION IN LIQUID 1,2‐DICHLOROETHANE AND N‐BUTANE
W4214550312 (DOI 10.1002/chin.198117070) · platform twin · 1981 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 11. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS. APPLICATION TO LIQUID METHANOL INCLUDING INTERNAL ROTATION
W4230182974 (DOI 10.1002/chin.197929004) · platform twin · 1979 ChemInform Abstract: MINIMAL BASIS SET DESCRIPTION OF THE STRUCTURE AND PROPERTIES OF LIQUID WATER
W4234913017 (DOI 10.1002/chin.198127052) · platform twin · 1981 ChemInform Abstract: HOMOAROMATICITY AND BICYCLOAROMATICITY IN CARBANIONS
W4235283821 (DOI 10.1002/chin.198017071) · platform twin · 1980 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 7. STRUCTURE AND PROPERTIES OF LIQUID METHANOL
W4235318833 (DOI 10.1002/chin.198117069) · platform twin · 1981 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS. APPLICATION TO LIQUID WATER
W4235733497 (DOI 10.1002/chin.197929003) · platform twin · 1979 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 3. DERIVING INTERMOLECULAR POTENTIAL FUNCTIONS FOR THE WATER DIMER FROM AB INITIO CALCULATIONS
W4244933674 (DOI 10.1002/chin.197928044) · platform twin · 1979 ChemInform Abstract: PHOTOELECTRON SPECTRA OF THE 1,2,5,6‐TETRAMETHYL‐3,4,7,8‐TETRAMETHYLENE DERIVATIVES OF TRICYCLO(3.3.0.02,6)OCTANE AND TRICYCLO(4.2.0.02,5)OCTANE
W4247008162 (DOI 10.1002/chin.198046108) · platform twin · 1980 ChemInform Abstract: COMPUTER‐ASSISTED MECHANISTIC EVALUATION OF ORGANIC REACTIONS. 1. OVERVIEW
W4247427750 (DOI 10.1002/chin.198117071) · platform twin · 1981 ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 12. SIMULATION OF LIQUID ETHANOL INCLUDING INTERNAL ROTATION
W4252475330 (DOI 10.1002/chin.198146064) · platform twin · 1981 ChemInform Abstract: PRESSURE DEPENDENCE OF THE STRUCTURE AND PROPERTIES OF LIQUID N‐BUTANE
W4254950819 (DOI 10.1002/chin.198031008) · platform twin · 1980 ChemInform Abstract: STRUCTURE AND PROPERTIES OF LIQUID AMMONIA

Citations

OpenAlex: 0
Scholar: 356
DOI: 10.1002/chin.198014073
OpenAlex: W2949524955

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo01319a016 and title on photoelectron spectra of tetramethyltetramethylene derivatives.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00406a010 and title on pressure dependence of liquid n-butane.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00393a034 and title on internal rotation in liquid 1,2-dichloroethane and n-butane.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00396a013 and title on homoaromaticity in carbanions.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00392a018 and title on simulation of liquid ethanol.
passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a015 and title on minimal basis set description of liquid water.
passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1979 Basis Set Dependence in Monte Carlo Simulations of Liquid Hydrogen Fluoride. J. Chem. Phys. article journal CV OA GS needs review

CV span

lines 308–310 · CV · published

30830. Basis Set Dependence in Monte Carlo Simulations of Liquid Hydrogen Fluoride.309W. L. Jorgensen310J. Chem. Phys., 70, 5888 (1979).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Basis Set Dependence in Monte Carlo Simulations of Liquid Hydrogen Fluoride.
year cv	1979
venue cv	J. Chem. Phys.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1979 Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio Calculations. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 299–302 · CV · published

29928. Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio300Calculations.301W. L. Jorgensen302J. Am. Chem. Soc., 101, 2011 (1979).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio Calculations.	Quantum and statistical mechanical studies of liquids. 3. Deriving intermolecular potential functions for the water dimer from ab initio calculations
year cv	1979	1979
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00502a014	10.1021/ja00502a014
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 62
Scholar: none
DOI: 10.1021/ja00502a014
OpenAlex: W1974852982

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1979 Energy Partitioning Accompanying Fragmentation of Protonated Methanol. International Journal of Mass Spectrometry and Ion Physics article journal CV OA GS

CV span

lines 312–314 · CV · published

31231. Energy Partitioning Accompanying Fragmentation of Protonated Methanol.313R. J. Day, D. A. Krause, W. L. Jorgensen, and R. G. Cooks314Int. J. Mass Spectrom. Ion Phys., 30, 83 (1979).

Institution fields

Peer reviewed: yes
First author: Day
Co-authors: R. J. Day; D. A. Krause; W. L. Jorgensen; R. G. Cooks
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Energy Partitioning Accompanying Fragmentation of Protonated Methanol.	Energy partitioning accompanying fragmentation of protonated methanol
year cv	1979	1979
venue crossref	Int. J. Mass Spectrom. Ion Phys.	International Journal of Mass Spectrometry and Ion Physics	International Journal of Mass Spectrometry and Ion Physics
kind cv	article	article
DOI crossref	10.1016/0020-7381(79)80045-5	10.1016/0020-7381(79)80045-5
first author openalex	Day	Day

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/0020-7381(79)80045-5
OpenAlex: W2047255796

Match decisions

doi merged · 1.00 · Run 18

1979 Minimal Basis Set Description of the Structure and Properties of Liquid Water. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 304–306 · CV · published

30429. Minimal Basis Set Description of the Structure and Properties of Liquid Water.305W. L. Jorgensen306J. Am. Chem. Soc., 101, 2016 (1979).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Minimal Basis Set Description of the Structure and Properties of Liquid Water.	Minimal basis set description of the structure and properties of liquid water
year cv	1979	1979
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00502a015	10.1021/ja00502a015
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/ja00502a015
OpenAlex: W2953054623

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a015 and title on minimal basis set description of liquid water.
doi merged · 1.00 · Run 18

1979 The Photoelectron Spectra of the 1,2,5,6-Tetramethyl-3,4,7,8-tetramethylene Derivatives of Tricyclo(3.3.0.0(2,6)]octane and Tricyclo(4.2.0.0(2,5)]octane. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 290–293 · CV · published

29026. The Photoelectron Spectra of the 1,2,5,6-Tetramethyl-3,4,7,8-tetramethylene Derivatives291of Tricyclo(3.3.0.0(2,6)]octane and Tricyclo(4.2.0.0(2,5)]octane.292W. T. Borden, S. D. Young, D. C. Frost, N.P.C. Westwood, and W. L. Jorgensen293J. Org. Chem., 44, 737 (1979).

Institution fields

Peer reviewed: yes
First author: Borden
Co-authors: W. T. Borden; S. D. Young; D. C. Frost; N.P.C. Westwood; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Photoelectron Spectra of the 1,2,5,6-Tetramethyl-3,4,7,8-tetramethylene Derivatives of Tricyclo(3.3.0.0(2,6)]octane and Tricyclo(4.2.0.0(2,5)]octane.	Photoelectron spectra of the 1,2,5,6-tetramethyl-3,4,7,8-tetramethylene derivatives of tricyclo[3.3.0.02,6]octane and tricyclo[4.2.0.02,5]octane
year cv	1979	1979
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo01319a016	10.1021/jo01319a016
first author openalex	Borden	Borden

Citations

OpenAlex: 17
Scholar: none
DOI: 10.1021/jo01319a016
OpenAlex: W2950805792

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo01319a016 and title on photoelectron spectra of tetramethyltetramethylene derivatives.
doi merged · 1.00 · Run 18

1978 Ab Initio Molecular Orbital Study of the Geometries, Properties and Protonation of Alkyl Chlorides. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 270–273 · CV · published

27022. Ab Initio Molecular Orbital Study of the Geometries, Properties and Protonation of Alkyl271Chlorides.272W. L. Jorgensen273J. Am. Chem. Soc., 100, 1057 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio Molecular Orbital Study of the Geometries, Properties and Protonation of Alkyl Chlorides.	Chemical consequences of orbital interactions. 13. Ab initio molecular orbital study of the geometries, properties, and protonation of alkyl chlorides
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00472a006	10.1021/ja00472a006
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 28
Scholar: none
DOI: 10.1021/ja00472a006
OpenAlex: W3004491577

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups multiple closely related papers on orbital interactions and ab initio studies of organofluorides and alkyl chlorides.
doi merged · 1.00 · Run 18

1978 Ab Initio Molecular Orbital Study of the Geometries, Properties, and Protonation of Simple Organofluorides. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 285–288 · CV · published

28525. Ab Initio Molecular Orbital Study of the Geometries, Properties, and Protonation of286Simple Organofluorides.287W. L. Jorgensen and M. E. Cournoyer288J. Am. Chem. Soc., 100, 5278 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. E. Cournoyer
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Ab Initio Molecular Orbital Study of the Geometries, Properties, and Protonation of Simple Organofluorides.	Chemical consequences of orbital interactions. 14. Ab initio molecular orbital study of the geometries, properties, and protonation of simple organofluorides
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00485a006	10.1021/ja00485a006
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 21
Scholar: none
DOI: 10.1021/ja00485a006
OpenAlex: W4243577037

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups multiple closely related papers on orbital interactions and ab initio studies of organofluorides and alkyl chlorides.
doi merged · 1.00 · Run 18

1978 An Intermolecular Potential Function for the HF Dimer from Ab Initio 6-3lG Computations. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 280–283 · CV · published

28024. An Intermolecular Potential Function for the HF Dimer from Ab Initio 6-3lG281Computations.282W. L. Jorgensen and M. E. Cournoyer283J. Am. Chem. Soc., 100, 4942 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; M. E. Cournoyer
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	An Intermolecular Potential Function for the HF Dimer from Ab Initio 6-3lG Computations.	Quantum and statistical studies of liquids. 1. An intermolecular potential function for the hydrogen fluoride dimer from ab initio 6-31G computations
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00484a003	10.1021/ja00484a003
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 55
Scholar: none
DOI: 10.1021/ja00484a003
OpenAlex: W2951751685

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00502a014 and topic of water dimer intermolecular potentials.
doi merged · 1.00 · Run 18

1978 Cycloaddition Reactions of 1,2,5,6-Tetramethyl-3,4,7,8-tetramethylenetricyclo(3.3.0.0(2,6)]octane. Evidence for Chemical Consequences of Orbital Interactions in Molecules Containing Unsaturatively 1,3-Bridged Cyclobutane Rings. The Journal of Organic Chemistry article journal CV OA GS needs review

CV span

lines 251–256 · CV · published

25118. Cycloaddition Reactions of2521,2,5,6-Tetramethyl-3,4,7,8-tetramethylenetricyclo(3.3.0.0(2,6)]octane. Evidence for253Chemical Consequences of Orbital Interactions in Molecules Containing Unsaturatively2541,3-Bridged Cyclobutane Rings.255W. T. Borden, A. Gold, and W. L. Jorgensen256J. Org. Chem., 43, 491 (1978).

Institution fields

Peer reviewed: yes
First author: Borden
Co-authors: W. T. Borden; A. Gold; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Cycloaddition Reactions of 1,2,5,6-Tetramethyl-3,4,7,8-tetramethylenetricyclo(3.3.0.0(2,6)]octane. Evidence for Chemical Consequences of Orbital Interactions in Molecules Containing Unsaturatively 1,3-Bridged Cyclobutane Rings.	Cycloaddition reactions of 1,2,5,6-tetramethyl-3,4,7,8-tetramethylenetricyclo[3.3.0.02,6]octane. Evidence for chemical consequences of orbital interactions in molecules containing unsaturatively 1,3-bridged cyclobutane rings
year cv	1978	1978
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry	The Journal of Organic Chemistry
kind cv	article	article
DOI crossref	10.1021/jo00397a024	10.1021/jo00397a024
first author openalex	Borden	Borden

Citations

OpenAlex: 5
Scholar: none
DOI: 10.1021/jo00397a024
OpenAlex: W2952755819

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/jo00397a024 and title on cycloaddition reactions of tetramethyltetramethylenetricyclooctane.
doi merged · 1.00 · Run 18

1978 MINDO/3 Calculation of the Potential Energy Surface for C3H5+ → C3H3+ + H2 as Applied to Understanding Energy Partitioning Accompanying Fragmentation. International Journal of Mass Spectrometry and Ion Physics article journal CV OA GS

CV span

lines 275–278 · CV · published

27523. MINDO/3 Calculation of the Potential Energy Surface for C3H5+ → C3H3+ + H2 as276Applied to Understanding Energy Partitioning Accompanying Fragmentation.277D. A. Krause, R. J. Day, W. L. Jorgensen, and R. G. Cooks278Int. J. Mass Spectrom. Ion Phys., 27, 227 (1978).

Institution fields

Peer reviewed: yes
First author: Krause
Co-authors: D. A. Krause; R. J. Day; W. L. Jorgensen; R. G. Cooks
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	MINDO/3 Calculation of the Potential Energy Surface for C3H5+ → C3H3+ + H2 as Applied to Understanding Energy Partitioning Accompanying Fragmentation.	MINDO/3 calculation of the potential energy surface for C3H5+ → C3H3+ + H2 as applied to understanding energy partitioning accompanying fragmentation
year cv	1978	1978
venue crossref	Int. J. Mass Spectrom. Ion Phys.	International Journal of Mass Spectrometry and Ion Physics	International Journal of Mass Spectrometry and Ion Physics
kind cv	article	article
DOI crossref	10.1016/0020-7381(78)80110-7	10.1016/0020-7381(78)80110-7
first author openalex	Krause	Krause

Citations

OpenAlex: 25
Scholar: none
DOI: 10.1016/0020-7381(78)80110-7
OpenAlex: W2024033893

Match decisions

doi merged · 1.00 · Run 18

1978 Monte Carlo Simulations of Liquid Hydrogen Fluoride. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 295–297 · CV · published

29527. Monte Carlo Simulations of Liquid Hydrogen Fluoride.296W. L. Jorgensen297J. Am. Chem. Soc., 100, 7824 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Monte Carlo Simulations of Liquid Hydrogen Fluoride.	Quantum and statistical mechanical studies of liquids. 2. Monte-Carlo simulations of liquid hydrogen fluoride
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00493a007	10.1021/ja00493a007
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 66
Scholar: none
DOI: 10.1021/ja00493a007
OpenAlex: W3005102868

Match decisions

doi merged · 1.00 · Run 18

1978 Proton Affinity Correlations for Alkyl Chlorides. Chemical Physics Letters article journal CV OA GS

CV span

lines 258–260 · CV · published

25819. Proton Affinity Correlations for Alkyl Chlorides.259W. L. Jorgensen260Chem. Phys. Letts., 53, 525 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Proton Affinity Correlations for Alkyl Chlorides.	Proton affinity correlations for alkyl chlorides
year cv	1978	1978
venue crossref	Chem. Phys. Letts.	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	article
DOI crossref	10.1016/0009-2614(78)80061-x	10.1016/0009-2614(78)80061-x
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1016/0009-2614(78)80061-x
OpenAlex: W2057089892

Match decisions

doi merged · 1.00 · Run 18

1978 Stereoelectronic Effects on the Protonation and Properties of 2-Norbornyl Chlorides. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 266–269 · CV · published

26621. Stereoelectronic Effects on the Protonation and Properties of 2-Norbornyl Chlorides.267W. L. Jorgensen and J. E. Munroe268J. Am. Chem. Soc., 100, 1511 (1978).269

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. E. Munroe
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Stereoelectronic Effects on the Protonation and Properties of 2-Norbornyl Chlorides.	Chemical consequences of orbital interactions. 12. Stereoelectronic effects of the protonation and properties of 2-norbornyl chlorides
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00473a031	10.1021/ja00473a031
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1021/ja00473a031
OpenAlex: W3005288961

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00473a031 and title on stereoelectronic effects on 2-norbornyl chlorides.
doi merged · 1.00 · Run 18

1978 The Electronic Structure and Protonation of Alkyl Chlorides. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 262–264 · CV · published

26220. The Electronic Structure and Protonation of Alkyl Chlorides.263W. L. Jorgensen264J. Am. Chem. Soc., 100, 1049 (1978).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Electronic Structure and Protonation of Alkyl Chlorides.	Electronic structure and protonation of alkyl chlorides
year cv	1978	1978
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00472a005	10.1021/ja00472a005
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 21
Scholar: none
DOI: 10.1021/ja00472a005
OpenAlex: W3004706462

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00472a005 and title on the electronic structure of alkyl chlorides.
doi merged · 1.00 · Run 18

1977 Simple Prediction of Substituent Sensitivity for Carbocations. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 247–249 · CV · published

24717. Simple Prediction of Substituent Sensitivity for Carbocations.248W. L. Jorgensen249J. Am. Chem. Soc., 99, 3840 (1977).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Simple Prediction of Substituent Sensitivity for Carbocations.	Simple prediction of substituent sensitivity (.rho.+) for carbocations
year cv	1977	1977
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00453a055	10.1021/ja00453a055
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 11
Scholar: none
DOI: 10.1021/ja00453a055
OpenAlex: W3004427554

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00453a055 and title for prediction of substituent sensitivity for carbocations.
doi merged · 1.00 · Run 18

1977 The Importance of the Counter Ion. The Structures and Relative Energies of Homocubyl Cations and Ion Pairs. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 242–245 · CV · published

24216. The Importance of the Counter Ion. The Structures and Relative Energies of Homocubyl243Cations and Ion Pairs.244W. L. Jorgensen245J. Am. Chem. Soc., 99, 4272 (1977).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	The Importance of the Counter Ion. The Structures and Relative Energies of Homocubyl Cations and Ion Pairs.
year cv	1977
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1977 The Influence of Increasing Solvation on the Relative Energies of Bisected and Bridged Ethyl Cations. Tetrahedron Letters article journal CV OA GS

CV span

lines 237–240 · CV · published

23715. The Influence of Increasing Solvation on the Relative Energies of Bisected and Bridged238Ethyl Cations.239W. L. Jorgensen and J. E. Munroe240Tetrahedron Letters, 581 (1977).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; J. E. Munroe
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	The Influence of Increasing Solvation on the Relative Energies of Bisected and Bridged Ethyl Cations.	The influence of increasing solvation on the relative energies of bisected and bridged ethyl cations
year cv	1977	1977
venue crossref	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/s0040-4039(01)92699-1	10.1016/s0040-4039(01)92699-1
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1016/s0040-4039(01)92699-1
OpenAlex: W2085876081

Match decisions

doi merged · 1.00 · Run 18

1977 The Similarity of Solvent Effects on Carbocations. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 233–235 · CV · published

23314. The Similarity of Solvent Effects on Carbocations.234W. L. Jorgensen235J. Am. Chem. Soc., 99, 280 (1977).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	The Similarity of Solvent Effects on Carbocations.	Chemical consequences of orbital interactions. 6. The similarity of solvent effects on carbocations
year cv	1977	1977
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00443a067	10.1021/ja00443a067
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 26
Scholar: none
DOI: 10.1021/ja00443a067
OpenAlex: W3004565672

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00443a067 and title on similarity of solvent effects on carbocations.
doi merged · 1.00 · Run 18

1976 Computer-Assisted Synthetic Analysis. Generation of Synthetic Sequences Involving Sequential Functional Group Interchanges. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 212–215 · CV · published

2129. Computer-Assisted Synthetic Analysis. Generation of Synthetic Sequences Involving213Sequential Functional Group Interchanges.214E. J. Corey and W. L. Jorgensen215J. Am. Chem. Soc., 98, 203 (1976).

Institution fields

Peer reviewed: yes
First author: Corey
Co-authors: E. J. Corey; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Synthetic Analysis. Generation of Synthetic Sequences Involving Sequential Functional Group Interchanges.	Computer-assisted synthetic analysis. Generation of synthetic sequences involving sequential functional group interchanges
year cv	1976	1976
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00417a031	10.1021/ja00417a031
first author openalex	Corey	Corey

Citations

OpenAlex: 16
Scholar: none
DOI: 10.1021/ja00417a031
OpenAlex: W2951049643

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00417a031 and title on computer-assisted synthetic analysis.
doi merged · 1.00 · Run 18

1976 Computer-Assisted Synthetic Analysis. Synthetic Strategies Based on Appendages and the Use of Reconnective Transforms. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 207–210 · CV · published

2078. Computer-Assisted Synthetic Analysis. Synthetic Strategies Based on Appendages and208the Use of Reconnective Transforms.209E. J. Corey and W. L. Jorgensen210J. Am. Chem. Soc., 98, 189 (1976).

Institution fields

Peer reviewed: yes
First author: Corey
Co-authors: E. J. Corey; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Computer-Assisted Synthetic Analysis. Synthetic Strategies Based on Appendages and the Use of Reconnective Transforms.	Computer-assisted synthetic analysis. Synthetic strategies based on appendages and the use of reconnective transforms
year cv	1976	1976
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00417a030	10.1021/ja00417a030
first author openalex	Corey	Corey

Citations

OpenAlex: 42
Scholar: none
DOI: 10.1021/ja00417a030
OpenAlex: W2313931242

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 Records share the DOI 10.1021/ja00417a030 and title on computer-assisted synthetic analysis.
doi merged · 1.00 · Run 18

1976 The Behavior of Trishomocyclopropenyl Cations. Tetrahedron Letters article journal CV OA GS

CV span

lines 221–223 · CV · published

22111. The Behavior of Trishomocyclopropenyl Cations.222W. L. Jorgensen223Tetrahedron Letters, 3027 (1976).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	The Behavior of Trishomocyclopropenyl Cations.	The behavior of trishomocyclopropenyl cations
year cv	1976	1976
venue crossref	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/0040-4039(76)80061-5	10.1016/0040-4039(76)80061-5
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 4
Scholar: none
DOI: 10.1016/0040-4039(76)80061-5
OpenAlex: W2003259709

Match decisions

doi merged · 1.00 · Run 18

1976 The Cyclic Structure of Monomeric Dilithioacetylene. Tetrahedron Letters article journal CV OA GS

CV span

lines 229–231 · CV · published

22913. The Cyclic Structure of Monomeric Dilithioacetylene.230Y. Apeloig, P. v. R. Schleyer, J. S. Binkley, J. A. Pople, and W. L. Jorgensen231Tetrahedron Letters, 3923 (1976).

Institution fields

Peer reviewed: yes
First author: Apeloig
Co-authors: Y. Apeloig; P. v. R. Schleyer; J. S. Binkley; J. A. Pople; W. L. Jorgensen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	The Cyclic Structure of Monomeric Dilithioacetylene.	The cyclic structure of monomeric dilithioacetylene
year cv	1976	1976
venue crossref	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/0040-4039(76)80183-9	10.1016/0040-4039(76)80183-9
first author openalex	Apeloig	Apeloig

Citations

OpenAlex: 39
Scholar: none
DOI: 10.1016/0040-4039(76)80183-9
OpenAlex: W1973500794

Match decisions

doi merged · 1.00 · Run 18

1976 The Energetic Impact of Monohomoaromaticity. J. Am. Chem. Soc. article journal CV OA GS needs review

CV span

lines 217–219 · CV · published

21710. The Energetic Impact of Monohomoaromaticity.218W. L. Jorgensen219J. Am. Chem. Soc., 98, 6784 (1976).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	The Energetic Impact of Monohomoaromaticity.
year cv	1976
venue cv	J. Am. Chem. Soc.
kind cv	article
first author cv	Jorgensen

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group

1976 The structure and stability of coates' cations Tetrahedron Letters article journal CV OA GS needs review

CV span

lines 225–227 · CV · unverified · published

22512. The Structure and Stability of Coates' Cations.226W. L. Jorgensen227Tetrahedron Letters, 3033 (l976).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title openalex	The Structure and Stability of Coates' Cations.	The structure and stability of coates' cations
year openalex	1976	1976
venue openalex	Tetrahedron Letters	Tetrahedron Letters
kind openalex	article	article
DOI openalex		10.1016/0040-4039(76)80062-7
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 5
Scholar: none
DOI: 10.1016/0040-4039(76)80062-7
OpenAlex: W2008263341

Match decisions

fingerprint merged · 1.00 · Run 18

1975 Chemical Consequences of Orbital Interactions. II. Ethylene and Butadiene Bridged Polycyclic Hydrocarbons Contain Three- and Four-Membered Rings. Journal of the American Chemical Society article journal CV OA GS needs review

CV span

lines 202–205 · CV · published

2027. Chemical Consequences of Orbital Interactions. II. Ethylene and Butadiene Bridged203Polycyclic Hydrocarbons Contain Three- and Four-Membered Rings.204W. L. Jorgensen205J. Am. Chem. Soc., 97, 3082-3090 (1975).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Chemical Consequences of Orbital Interactions. II. Ethylene and Butadiene Bridged Polycyclic Hydrocarbons Contain Three- and Four-Membered Rings.	Chemical consequences of orbital interactions. II. Ethylene and butadiene bridged polycyclic hydrocarbons containing three- and four-membered rings
year cv	1975	1975
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00844a027	10.1021/ja00844a027
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1021/ja00844a027
OpenAlex: W2950392987

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups related parts and corrections of the chemical consequences of orbital interactions series by Jorgensen.
doi merged · 1.00 · Run 18

1975 Orbital Interactions in Molecules Containing Unsaturatively Bridged Cyclobutane and Bicyclobutane Rings. Tetrahedron Letters article journal CV OA GS

CV span

lines 197–200 · CV · published

1976. Orbital Interactions in Molecules Containing Unsaturatively Bridged Cyclobutane and198Bicyclobutane Rings.199W. L. Jorgensen and W. T. Borden200Tetrahedron Letters, 223 (1975).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; W. T. Borden
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Orbital Interactions in Molecules Containing Unsaturatively Bridged Cyclobutane and Bicyclobutane Rings.	Orbital interactions in molecules containing unsaturatively bridged cyclobutane and bicyclobutane rings
year cv	1975	1975
venue crossref	Tetrahedron Letters	Tetrahedron Letters
kind cv	article	article
DOI crossref	10.1016/s0040-4039(00)71828-4	10.1016/s0040-4039(00)71828-4
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1016/s0040-4039(00)71828-4
OpenAlex: W2041777905

Match decisions

doi merged · 1.00 · Run 18

1973 Chemical Consequences of Orbital Interactions in Hydrocarbons Containing Unsaturatively Bridged Small Rings. Chemischer Informationsdienst article journal CV OA GS needs review

CV span

lines 186–189 · CV · published

1864. Chemical Consequences of Orbital Interactions in Hydrocarbons Containing187Unsaturatively Bridged Small Rings.188W. L. Jorgensen and W. T. Borden189J. Am. Chem. Soc., 95, 6649 (1973).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; W. T. Borden
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Chemical Consequences of Orbital Interactions in Hydrocarbons Containing Unsaturatively Bridged Small Rings.	ChemInform Abstract: CHEMICAL CONSEQUENCES OF ORBITAL INTERACTIONS IN HYDROCARBONS CONTAINING UNSATURATIVELY BRIDGED SMALL RINGS
year cv	1973	1973
venue crossref	J. Am. Chem. Soc.	ChemInform	Chemischer Informationsdienst
kind cv	article	article
DOI crossref	10.1002/chin.197350072	10.1002/chin.197350072
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1002/chin.197350072
OpenAlex: W4250255665

Match decisions

passthrough_guard not merged · 0.80 · low_confidence · Run 18 Groups related parts and corrections of the chemical consequences of orbital interactions series by Jorgensen.
doi merged · 1.00 · Run 18

1973 The Organic Chemist's Book of Orbitals Academic Press, New York version 2012 The organic chemist's book of orbitals book CV OA GS

CV span

lines 191–195 · CV · published

1915. "The Organic Chemist's Book of Orbitals".192W. L. Jorgensen and L. Salem193Academic Press, New York, 1973.194195In German, "Orbitale Organischer Molekule", Verlag Chemie. Weinheim/Bergstr., 1974.

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; L. Salem
Subfield: other
Method: none
Invited: none
Publisher: Academic Press
Reprint or translation: yes

Fields by source

Field	CV	OpenAlex
title cv	The Organic Chemist's Book of Orbitals	The organic chemist's book of orbitals / William L. Jorgensen, Lionel Salem
year cv	1973	1973
venue cv	Academic Press, New York
kind cv	book	article
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 0
Scholar: none
Scholar with related records: 1034
OpenAlex: W66802206

Match decisions

fingerprint merged · 1.00 · Run 18

1971 Charge Density Analysis of Rotational Barriers. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 182–184 · CV · published

1823. Charge Density Analysis of Rotational Barriers.183W. L. Jorgensen and L. C. Allen184J. Am. Chem. Soc., 93, 567 (1971).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; L. C. Allen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Charge Density Analysis of Rotational Barriers.	Charge-density analysis of rotational barriers
year cv	1971	1971
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00732a001	10.1021/ja00732a001
first author openalex	Jorgensen	Allen

Citations

OpenAlex: 32
Scholar: none
DOI: 10.1021/ja00732a001
OpenAlex: W1981030645

Match decisions

doi merged · 1.00 · Run 18

1970 Charge Distribution Characteristics of Attractive Dominant Barriers. Chemical Physics Letters article journal CV OA GS

CV span

lines 178–180 · CV · published

1782. Charge Distribution Characteristics of Attractive Dominant Barriers.179W. L. Jorgensen and L. C. Allen180Chem. Phys. Letts., 7, 483 (1970).

Institution fields

Peer reviewed: yes
First author: Jorgensen
Co-authors: W. L. Jorgensen; L. C. Allen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Charge Distribution Characteristics of Attractive Dominant Barriers.	Charge distribution characteristics of attractive dominant barriers
year cv	1970	1970
venue crossref	Chem. Phys. Letts.	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	article
DOI crossref	10.1016/0009-2614(70)80153-1	10.1016/0009-2614(70)80153-1
first author openalex	Jorgensen	Jorgensen

Citations

OpenAlex: 5
Scholar: none
DOI: 10.1016/0009-2614(70)80153-1
OpenAlex: W2002186119

Match decisions

doi merged · 1.00 · Run 18

1970 Structural and Energetic Predictions for Simple Hydrocarbons from the NDDO and CNDO Semiempirical Molecular Orbital Methods. Journal of the American Chemical Society article journal CV OA GS

CV span

lines 173–176 · CV · published

1731. Structural and Energetic Predictions for Simple Hydrocarbons from the NDDO and174CNDO Semiempirical Molecular Orbital Methods.175R. B. Davidson, W. L. Jorgensen, and L. C. Allen176J. Am. Chem. Soc., 92, 749-753 (1970).

Institution fields

Peer reviewed: yes
First author: Davidson
Co-authors: R. B. Davidson; W. L. Jorgensen; L. C. Allen
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Structural and Energetic Predictions for Simple Hydrocarbons from the NDDO and CNDO Semiempirical Molecular Orbital Methods.	Structural and energetic predictions for simple hydrocarbons from the NDDO [neglect of diatomic differential overlap] and CNDO [complete neglect of differential overlap] semiempirical molecular orbital methods
year cv	1970	1970
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/ja00707a001	10.1021/ja00707a001
first author openalex	Davidson	Davidson

Citations

OpenAlex: 35
Scholar: none
DOI: 10.1021/ja00707a001
OpenAlex: W2061030644

Match decisions

doi merged · 1.00 · Run 18

és Tirado-Rives, J. 1996.„ Development and testing of the OPLS all-atom force field on conformational other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			és Tirado-Rives, J. 1996.„
venue scholar			Development and testing of the OPLS all-atom force field on conformational …
kind scholar			other
first author scholar			Jorgensen

Citations

OpenAlex: none
Scholar: 351

Match decisions

No decision recorded; a single record.

JD Madura, RW Inpey ML Klem. J. Chern. Phys article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			JD Madura, RW Inpey
venue scholar			ML Klem. J. Chern. Phys
kind scholar			other
first author scholar			Jorgensen

Citations

OpenAlex: none
Scholar: 124

Match decisions

No decision recorded; a single record.

Citations received by year

Publications

In progress

Not counted

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Field	CV	OpenAlex	Scholar
title cv	In Vivo Anticryptosporidial Efficacy of a Prodrug Nanotherapy in a Mouse Model of Cryptosporidium Infection.
year cv	2019
venue cv	Antimicrob. Agents Chemother.
kind cv	article
first author cv	Ranjan

Field	CV	OpenAlex	Scholar
title cv	Protein Structure Calculation Based on NMR Data: An Enhanced Monte Carlo Approach.
year cv	2001
venue cv	J. Biomol. NMR
kind cv	article
first author cv	Pierce

Field	CV	OpenAlex	Scholar
title scholar			BOSS Version 4.1
year scholar			1999
venue scholar			Yale University: New Haven, CT
kind scholar			other
first author scholar			Jorgensen

Title	Organization	Years	Rank	Source	Lines
Sterling Professor of Chemistry current	Yale University	2009–	Distinguished	CV	13, 14
Director, Division of Physical Sciences and Engineering director	Yale University	2009–2012	Unknown	CV	13, 15
Whitehead Professor of Chemistry	Yale University	1990–2009	Distinguished named	CV	13, 16
Visiting Professor	Harvard University	1989–1989	Visiting visiting full level	CV	13, 17
Herbert C. Brown Professor of Chemistry	Purdue University	1985–1990	Distinguished named	CV	13, 18
Head, Organic Chemistry Division	Purdue University	1984–1987	Unknown	CV	13, 19
Professor, Department of Chemistry	Purdue University	1982–1990	Full	CV	13, 20
Associate Professor, Department of Chemistry	Purdue University	1979–1982	Associate	CV	13, 21
Assistant Professor, Department of Chemistry	Purdue University	1975–1979	Assistant	CV	13, 22
Sterling Professor of Chemistry			Distinguished	CV current position	14
Sterling Professor of Chemistry, Yale University			Distinguished	Scholar