| Advanced potential energy surfaces for molecular simulation A Albaugh, HA Boateng, RT Bradshaw, ON Demerdash, J Dziedzic, ... The Journal of Physical Chemistry B 120 (37), 9811-9832, 2016 | 87 | 2016 |
| Comparing experimental and computational alanine scanning techniques for probing a prototypical protein–protein interaction RT Bradshaw, BH Patel, EW Tate, RJ Leatherbarrow, IR Gould Protein Engineering, Design & Selection 24 (1-2), 197-207, 2011 | 85 | 2011 |
| Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field NA Mohamed, RT Bradshaw, JW Essex Journal of Computational Chemistry 37 (32), 2749-2758, 2016 | 44 | 2016 |
| The role of electrostatics in enzymes: do biomolecular force fields reflect protein electric fields? RT Bradshaw, J Dziedzic, CK Skylaris, JW Essex Journal of chemical information and modeling 60 (6), 3131-3144, 2020 | 36 | 2020 |
| Evaluating parametrization protocols for hydration free energy calculations with the amoeba polarizable force field RT Bradshaw, JW Essex Journal of chemical theory and computation 12 (8), 3871-3883, 2016 | 34 | 2016 |
| Interpretation of HDX data by maximum-entropy reweighting of simulated structural ensembles RT Bradshaw, F Marinelli, JD Faraldo-Gómez, LR Forrest Biophysical Journal 118 (7), 1649-1664, 2020 | 32 | 2020 |
| Structural dynamics in the evolution of SARS-CoV-2 spike glycoprotein V Calvaresi, AG Wrobel, J Toporowska, D Hammerschmid, KJ Doores, ... Nature Communications 14 (1), 1421, 2023 | 31 | 2023 |
| Chloride-dependent conformational changes in the GlyT1 glycine transporter YW Zhang, S Uchendu, V Leone, RT Bradshaw, N Sangwa, LR Forrest, ... Proceedings of the National Academy of Sciences 118 (10), e2017431118, 2021 | 20 | 2021 |
| Testing the limitations of MD-based local electric fields using the vibrational Stark effect in solution: penicillin G as a test case J Kozuch, SH Schneider, C Zheng, Z Ji, RT Bradshaw, SG Boxer The Journal of Physical Chemistry B 125 (17), 4415-4427, 2021 | 19 | 2021 |
| Integrating Hydrogen Deuterium Exchange–Mass Spectrometry with Molecular Simulations Enables Quantification of the Conformational Populations of the Sugar Transporter XylE R Jia, RT Bradshaw, V Calvaresi, A Politis Journal of the American Chemical Society 145 (14), 7768-7779, 2023 | 13 | 2023 |
| Structural predictions of the functions of membrane proteins from HDX-MS AM Lau, R Jia, RT Bradshaw, A Politis Biochemical Society Transactions 48 (3), 971-979, 2020 | 12 | 2020 |
| Modeling the native ensemble of PhuS using enhanced sampling MD and HDX-ensemble reweighting KC Kihn, T Wilson, AK Smith, RT Bradshaw, PL Wintrode, LR Forrest, ... Biophysical Journal 120 (23), 5141-5157, 2021 | 11 | 2021 |
| Evaluating anti-CD32b F (ab) conformation using molecular dynamics and small-angle X-ray scattering EJ Sutton, RT Bradshaw, CM Orr, B Frendéus, G Larsson, I Teige, ... Biophysical Journal 115 (2), 289-299, 2018 | 8 | 2018 |
| Interpreting Hydrogen-Deuterium Exchange Experiments with Molecular Simulations: Tutorials and Applications of the HDXer Ensemble Reweighting Software [Article v1. 0] PS Lee, RT Bradshaw, F Marinelli, K Kihn, A Smith, PL Wintrode, ... Living journal of computational molecular science 3 (1), 2021 | 7 | 2021 |
| Mutational Locally Enhanced Sampling (MULES) for quantitative prediction of the effects of mutations at protein–protein interfaces RT Bradshaw, PGA Aronica, EW Tate, RJ Leatherbarrow, IR Gould Chemical Science 3 (5), 1503-1511, 2012 | 6 | 2012 |
| Insights into autoregulation of a membrane protein complex by its cytoplasmic domains V Leone, RT Bradshaw, C Koshy, PS Lee, C Fenollar-Ferrer, V Heinz, ... Biophysical journal 122 (3), 577-594, 2023 | 1 | 2023 |
| Underlying data for" The role of electrostatics in enzymes: do biomolecular force fields reflect protein electric fields?" JW Essex, CK Skylaris, RT Bradshaw, J Dziedzic Zenodo, 2020 | | 2020 |
| Rtb1C13/Amoebaworkshop: Release V1. 0.0, December 2016 R Bradshaw Zenodo, 2016 | | 2016 |
