Richard T. Bradshaw

发表

Mutational Locally Enhanced Sampling (MULES) for quantitative prediction of the effects of mutations at protein–protein interfaces

Ian R. Gould, Richard T. Bradshaw, Pietro G. A. Aronica, 2012 .

Underlying data for "Evaluating parameterization protocols for hydration free energy calculations with the AMOEBA polarizable force field"

Jonathan W. Essex, Richard T. Bradshaw, 2015 .

Evaluating Anti-CD32b F(ab) Conformation Using Molecular Dynamics and Small-Angle X-Ray Scattering

Richard T. Bradshaw, J. Essex, M. Cragg, 2018, Biophysical journal.

Predicting structural and energetic effects of mutations at protein-protein interfaces

Richard T. Bradshaw, R. Bradshaw, 2013 .

Testing the Limitations of MD-Based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case.

Richard T. Bradshaw, S. Boxer, R. Bradshaw, 2021, The journal of physical chemistry. B.

Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field

Jonathan W. Essex, Richard Bradshaw, Richard T. Bradshaw, 2016, J. Comput. Chem..

Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction.

Richard T. Bradshaw, I. Gould, E. Tate, 2011, Protein engineering, design & selection : PEDS.

Structural dynamics in the evolution of SARS-CoV-2 spike glycoprotein

Richard T. Bradshaw, M. Malim, S. Gamblin, 2023, Nature Communications.

Advanced Potential Energy Surfaces for Molecular Simulation.

Jonathan W Essex, Qiao Zeng, Jay W Ponder, 2016, The journal of physical chemistry. B.

The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?

Richard T. Bradshaw, J. Essex, Chris-Kriton Skylaris, 2020, J. Chem. Inf. Model..

Interpretation of HDX Data by Maximum-Entropy Reweighting of Simulated Structural Ensembles

Fabrizio Marinelli, Lucy R Forrest, José D Faraldo-Gómez, 2020, Biophysical journal.

Structural Interpretation of Hydrogen-Deuterium Exchange with Maximum-Entropy Simulation Reweighting

Lucy R. Forrest, José D. Faraldo-Gómez, Richard T. Bradshaw, 2019, bioRxiv.

Integrating Hydrogen Deuterium Exchange–Mass Spectrometry with Molecular Simulations Enables Quantification of the Conformational Populations of the Sugar Transporter XylE

Richard T. Bradshaw, Valeria Calvaresi, Ruyu Jia, 2023, Journal of the American Chemical Society.

Integrative HDX-MS enables quantification of the conformational landscape of the sugar transporter XylE

Richard T. Bradshaw, A. Politis, R. Bradshaw, 2022, bioRxiv.

Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction.

Richard T. Bradshaw, Edward W. Tate, I. Gould, 2011, Protein engineering, design & selection : PEDS.