Journal
Journal of Chemical Information and Modeling
Published here
10 counted works of 10 linked
| Year | Title | Academics | Sources |
|---|---|---|---|
| 2025 | Covalent adducts formed by the androgen receptor transactivation domain and small molecules drugs remain disordered | Paul Robustelli | CV OA |
| 2025 | Ensemble docking for intrinsically disordered proteins | Paul Robustelli | CV OA |
| 2023 | AggBERT: best in class prediction of hexapeptide amyloidogenesis with a semi-supervised ProtBERT model | E. James Petersson | GS |
| 2020 | Metadynamics as a Post-Processing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. | William Jorgensen | CV OA |
| 2015 | Comparative molecular dynamics studies of human DNA polymerase | Sharon Hammes-Schiffer | CV |
| 2013 | Automated ligand- and structure-based protocol for in silico prediction of Human Serum Albumin binding. | William Jorgensen | CV OA |
| 2013 | Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields. | William Jorgensen | CV OA GS |
| 2009 | Discovery of Wild-type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. | William Jorgensen | CV OA |
| 2009 | FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space | Eugene I. Shakhnovich | GS |
| 2007 | Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. | William Jorgensen | CV OA GS |