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Journal of Chemical Theory and Computation
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June 25, 2016
Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field
Richard T Bradshaw, Jonathan W Essex
Journal of the American Chemical Society
|
March 28, 2023
Integrating Hydrogen Deuterium Exchange-Mass Spectrometry with Molecular Simulations Enables Quantification of the Conformational Populations of the Sugar Transporter XylE
Ruyu Jia, Richard T Bradshaw, Valeria Calvaresi, et al.
Journal of Computational Chemistry
|
October 21, 2016
Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field
Noor Asidah Mohamed, Richard T Bradshaw, Jonathan W Essex
Biochemical Society Transactions
|
June 30, 2020
Structural predictions of the functions of membrane proteins from HDX-MS
Andy M Lau, Ruyu Jia, Richard T Bradshaw, et al.
Journal of Chemical Information and Modeling
|
April 17, 2020
The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
Richard T Bradshaw, Jacek Dziedzic, Chris-Kriton Skylaris, et al.
Biophysical Journal
|
February 28, 2020
Interpretation of HDX Data by Maximum-Entropy Reweighting of Simulated Structural Ensembles
Richard T Bradshaw, Fabrizio Marinelli, José D Faraldo-Gómez, et al.
The Journal of Physical Chemistry. B
|
April 26, 2021
Testing the Limitations of MD-Based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case
Jacek Kozuch, Samuel H Schneider, Chu Zheng, et al.
Protein Engineering, Design & Selection : PEDS
|
July 27, 2010
Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction
Richard T Bradshaw, Bhavesh H Patel, Edward W Tate, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 4, 2021
Chloride-dependent conformational changes in the GlyT1 glycine transporter
Yuan-Wei Zhang, Stacy Uchendu, Vanessa Leone, et al.
Journal of Chemical Theory and Computation
|
February 12, 2026
Boltz-ABFE: Free Energy Perturbation without Crystal Structures
Stephan Thaler, Zhiyi Wu, William G Glass, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
June 25, 2016
Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field
Richard T Bradshaw, Jonathan W Essex
Journal of the American Chemical Society
|
March 28, 2023
Integrating Hydrogen Deuterium Exchange-Mass Spectrometry with Molecular Simulations Enables Quantification of the Conformational Populations of the Sugar Transporter XylE
Ruyu Jia, Richard T Bradshaw, Valeria Calvaresi, et al.
Journal of Computational Chemistry
|
October 21, 2016
Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field
Noor Asidah Mohamed, Richard T Bradshaw, Jonathan W Essex
Biochemical Society Transactions
|
June 30, 2020
Structural predictions of the functions of membrane proteins from HDX-MS
Andy M Lau, Ruyu Jia, Richard T Bradshaw, et al.
Journal of Chemical Information and Modeling
|
April 17, 2020
The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
Richard T Bradshaw, Jacek Dziedzic, Chris-Kriton Skylaris, et al.
Biophysical Journal
|
February 28, 2020
Interpretation of HDX Data by Maximum-Entropy Reweighting of Simulated Structural Ensembles
Richard T Bradshaw, Fabrizio Marinelli, José D Faraldo-Gómez, et al.
The Journal of Physical Chemistry. B
|
April 26, 2021
Testing the Limitations of MD-Based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case
Jacek Kozuch, Samuel H Schneider, Chu Zheng, et al.
Protein Engineering, Design & Selection : PEDS
|
July 27, 2010
Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction
Richard T Bradshaw, Bhavesh H Patel, Edward W Tate, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 4, 2021
Chloride-dependent conformational changes in the GlyT1 glycine transporter
Yuan-Wei Zhang, Stacy Uchendu, Vanessa Leone, et al.
Journal of Chemical Theory and Computation
|
February 12, 2026
Boltz-ABFE: Free Energy Perturbation without Crystal Structures
Stephan Thaler, Zhiyi Wu, William G Glass, et al.
Page
of 2