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2025 Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe Paul Robustelli · Journal of Chemical Theory and Computation 5 2025 Covalent adducts formed by the androgen receptor transactivation domain and small molecules drugs remain disordered Paul Robustelli · Journal of Chemical Information and Modeling 6 2025 Determining accurate conformational ensembles of intrinsically disordered proteins at atomic resolution Paul Robustelli · Nature Communications 27 2025 Ensemble docking for intrinsically disordered proteins Paul Robustelli · Journal of Chemical Information and Modeling 20 2025 Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0] Paul Robustelli · Living Journal of Computational Molecular Science 9 2024 Extending computational protein design to intrinsically disordered proteins Paul Robustelli · Science Advances 7 2024 Folding-upon-binding Pathways of an Intrinsically Disordered Protein from a Deep Markov State Model Paul Robustelli · Proceedings of the National Academy of Sciences 30 2024 PED in 2024: improving the community deposition of structural ensembles for intrinsically disordered proteins Paul Robustelli · Nucleic Acids Research 73 2023 Clustering conformational ensembles of intrinsically disordered proteins with t-distributed stochastic neighbor embedding Paul Robustelli · Journal of Chemical Theory and Computation 52 2023 Dissecting the biophysics and biology of intrinsically disordered proteins Paul Robustelli · Trends in Biochemical Sciences 22 2023 Rational optimization of a transcription factor activation domain inhibitor Paul Robustelli · Nature Structural & Molecular Biology 88 2022 Molecular basis of small-molecule binding to a-synuclein Paul Robustelli · Journal of the American Chemical Society 164 2022 Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States Paul Robustelli · Nature Communications 101 2020 Development of a Force Field for the Simulation of Single-Chain Proteins and Protein-Protein Complexes Paul Robustelli · Journal of Chemical Theory and Computation 218 2020 Quantifying the Relationship between Conformational Dynamics and Enzymatic Activity in Ribonuclease HI Homologues Paul Robustelli · Biochemistry 7 2020 The Mechanism of Coupled Folding-Upon-Binding of An Intrinsically Disordered Protein Paul Robustelli · Journal of the American Chemical Society 130 2018 Developing a Molecular Dynamics Force Field for Both Folded and Disordered Protein States Paul Robustelli · Proceedings of the National Academy of Sciences 1,183 2015 Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States Paul Robustelli · The Journal of Physical Chemistry B 948 2014 Functional implications of large backbone amplitude motions of the glycoprotein 130-binding epitope of interleukin-6 Paul Robustelli · The FEBS Journal 9 2013 Conformational Dynamics of the Partially Disordered Yeast Transcription Factor GCN4 Paul Robustelli · Journal of Chemical Theory and Computation 45 2013 Thermal Adaption of Conformational Dynamics in Ribonuclease H Paul Robustelli · PLoS Computational Biology 36 2012 Characterization of the Conformational Equilibrium Between the Two Major Substates of RNase A using NMR chemical shifts Paul Robustelli · Journal of the American Chemical Society 87 2012 Interpreting Protein Structural Dynamics from NMR Chemical Shifts Paul Robustelli · Journal of the American Chemical Society 136 2012 Structure of an Intermediate State in Protein Folding and Aggregation Paul Robustelli · Science 410 2011 Effects of the Known Pathogenic Mutations on the Aggregation Pathway of the Amyloidogenic Peptide of Apolipoprotein A-I Paul Robustelli · Journal of Molecular Biology 55 2010 Using NMR Chemical Shifts as Structural Restraints in Molecular Dynamics Simulations of Proteins Paul Robustelli · Structure 165 2009 Fast and Accurate Predictions of Protein NMR Chemical Shifts from Interatomic Distance Paul Robustelli · Journal of the American Chemical Society 270 2009 Folding of Small Proteins with Chemical Shift Restrained Monte Carlo Simulations without the use of Molecular Fragment Replacement or Structural Homology Paul Robustelli · The Journal of Physical Chemistry B 34 2008 Determination of Protein Structures in the Solid State from NMR Chemical Shifts Paul Robustelli · Structure 50 2008 Structure and Conformational Dynamics of Trichothecene Mycotoxins Paul Robustelli · Journal of Natural Products 16 2005 A Molecular switch based on a biologically important redox reaction Paul Robustelli · The Journal of Physical Chemistry B 61
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2025 · article · journal

Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe

Journal of Chemical Theory and Computation · Paul Robustelli

in CV in OpenAlex
noneScholar citations
3OpenAlex citations
5OpenAlex citations with related records

From the CV

lines 49–51 · published

2. Characterizing structural and kinetic ensembles of intrinsically disordered proteins using writhe. TR Sisk, S.Olsson, P Robustelli.* Journal of Chemical Theory and Computation - In Press (2025)https://doi.org/10.1101/2025.04.26.650781

Peer reviewed
yes
First author
Sisk
Co-authors
TR Sisk; S. Olsson; P Robustelli.*
Subfield
other
Method
none
Invited
none
Publisher
none
Reprint or translation
none
DOI
10.1021/acs.jctc.5c01133
OpenAlex
W4416381077

Where each field came from

FieldCVOpenAlexScholar
title Characterizing structural and kinetic ensembles of intrinsically disordered proteins using writheCharacterizing structural and kinetic ensembles of intrinsically disordered proteins using writheCharacterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe (used)
year 202520252025 (used)
venue Journal of Chemical Theory and ComputationbioRxiv (Cold Spring Harbor Laboratory)Journal of Chemical Theory and Computation (used)
kind articleworking_paperarticle (used)
DOI 10.1101/2025.04.26.65078110.1101/2025.04.26.65078110.1021/acs.jctc.5c01133 (used)
preprint DOI 10.1101/2025.04.26.650781 (used)10.1101/2025.04.26.650781
first author SiskSiskSisk (used)

The value in bold is the one the record uses.

How the records were joined

  • doi merged · 1.00 · Run 18