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S Roy Kimura

Showing results (1-10 of 11) with videos related to

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The Journal of Chemical Physics|December 24, 2011
Communication: Quantum polarized fluctuating charge model: a practical method to include ligand polarizability in biomolecular simulationsS Roy Kimura, Ramkumar Rajamani, David R Langley
Journal of Computer-Aided Molecular Design|October 21, 2006
Modeling and active site refinement for G protein-coupled receptors: application to the beta-2 adrenergic receptorStanley R Krystek, S Roy Kimura, Andrew J Tebben
Proceedings of the National Academy of Sciences of the United States of America|June 15, 2026
ModBind<sub>dG</sub>: A simulation-based absolute predictor of free energy of binding based on population reweightingWilliam Sinko, Blake Mertz, Yoh Terada, et al.
Proteins|January 5, 2008
Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approachS Roy Kimura, Andrew J Tebben, David R Langley
Journal of Chemical Information and Modeling|December 16, 2024
ModBind, a Rapid Simulation-Based Predictor of Ligand Binding and Off-RatesWilliam Sinko, Blake Mertz, Takafumi Shimizu, et al.
Journal of Chemical Information and Modeling|January 13, 2025
PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound TransformationsKairi Furui, Takafumi Shimizu, Yutaka Akiyama, et al.
Journal of Chemical Information and Modeling|May 25, 2017
Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular DynamicsS Roy Kimura, Hai Peng Hu, Anatoly M Ruvinsky, et al.
Proteins|November 18, 2014
Homology models of the HIV-1 attachment inhibitor BMS-626529 bound to gp120 suggest a unique mechanism of actionDavid R Langley, S Roy Kimura, Prasanna Sivaprakasam, et al.
Angewandte Chemie (International Ed. in English)|December 11, 2014
Water-mediated recognition of simple alkyl chains by heart-type fatty-acid-binding proteinShigeru Matsuoka, Shigeru Sugiyama, Daisuke Matsuoka, et al.
Acta Crystallographica. Section F, Structural Biology Communications|March 19, 2014
The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitorSusan E Kiefer, Chiehying J Chang, S Roy Kimura, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|December 24, 2011
Communication: Quantum polarized fluctuating charge model: a practical method to include ligand polarizability in biomolecular simulationsS Roy Kimura, Ramkumar Rajamani, David R Langley
Journal of Computer-Aided Molecular Design|October 21, 2006
Modeling and active site refinement for G protein-coupled receptors: application to the beta-2 adrenergic receptorStanley R Krystek, S Roy Kimura, Andrew J Tebben
Proceedings of the National Academy of Sciences of the United States of America|June 15, 2026
ModBind<sub>dG</sub>: A simulation-based absolute predictor of free energy of binding based on population reweightingWilliam Sinko, Blake Mertz, Yoh Terada, et al.
Proteins|January 5, 2008
Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approachS Roy Kimura, Andrew J Tebben, David R Langley
Journal of Chemical Information and Modeling|December 16, 2024
ModBind, a Rapid Simulation-Based Predictor of Ligand Binding and Off-RatesWilliam Sinko, Blake Mertz, Takafumi Shimizu, et al.
Journal of Chemical Information and Modeling|January 13, 2025
PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound TransformationsKairi Furui, Takafumi Shimizu, Yutaka Akiyama, et al.
Journal of Chemical Information and Modeling|May 25, 2017
Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular DynamicsS Roy Kimura, Hai Peng Hu, Anatoly M Ruvinsky, et al.
Proteins|November 18, 2014
Homology models of the HIV-1 attachment inhibitor BMS-626529 bound to gp120 suggest a unique mechanism of actionDavid R Langley, S Roy Kimura, Prasanna Sivaprakasam, et al.
Angewandte Chemie (International Ed. in English)|December 11, 2014
Water-mediated recognition of simple alkyl chains by heart-type fatty-acid-binding proteinShigeru Matsuoka, Shigeru Sugiyama, Daisuke Matsuoka, et al.
Acta Crystallographica. Section F, Structural Biology Communications|March 19, 2014
The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitorSusan E Kiefer, Chiehying J Chang, S Roy Kimura, et al.
Pageof 2