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Dmitry Lupyan

Showing results (11-20 of 17) with videos related to

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Journal of Chemical Information and Modeling|December 9, 2025
Toward Automated Physics-Based Absolute Drug Residence Time PredictionsZachary Smith, Davide Branduardi, Dmitry Lupyan, et al.
Structure (London, England : 1993)|December 17, 2009
A role for a specific cholesterol interaction in stabilizing the Apo configuration of the human A(2A) adenosine receptorEdward Lyman, Chris Higgs, Byungchan Kim, et al.
Journal of Chemical Information and Modeling|August 20, 2019
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding KineticsHaoyu S Yu, Cen Gao, Dmitry Lupyan, et al.
Journal of Chemical Information and Modeling|January 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting LigandsAra M Abramyan, Anna Bochicchio, Chuanjie Wu, et al.
Journal of Chemical Theory and Computation|November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and ProteinsEdward Harder, Wolfgang Damm, Jon Maple, et al.
Journal of the American Chemical Society|January 28, 2015
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force fieldLingle Wang, Yujie Wu, Yuqing Deng, et al.
Cell Host & Microbe|January 16, 2025
Decoding the blueprint of receptor binding by filoviruses through large-scale binding assays and machine learningGorka Lasso, Michael Grodus, Estefania Valencia, et al.
Pageof 2

Showing results (11-20 of 17) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 17 results.
Journal of Chemical Information and Modeling|December 9, 2025
Toward Automated Physics-Based Absolute Drug Residence Time PredictionsZachary Smith, Davide Branduardi, Dmitry Lupyan, et al.
Structure (London, England : 1993)|December 17, 2009
A role for a specific cholesterol interaction in stabilizing the Apo configuration of the human A(2A) adenosine receptorEdward Lyman, Chris Higgs, Byungchan Kim, et al.
Journal of Chemical Information and Modeling|August 20, 2019
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding KineticsHaoyu S Yu, Cen Gao, Dmitry Lupyan, et al.
Journal of Chemical Information and Modeling|January 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting LigandsAra M Abramyan, Anna Bochicchio, Chuanjie Wu, et al.
Journal of Chemical Theory and Computation|November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and ProteinsEdward Harder, Wolfgang Damm, Jon Maple, et al.
Journal of the American Chemical Society|January 28, 2015
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force fieldLingle Wang, Yujie Wu, Yuqing Deng, et al.
Cell Host & Microbe|January 16, 2025
Decoding the blueprint of receptor binding by filoviruses through large-scale binding assays and machine learningGorka Lasso, Michael Grodus, Estefania Valencia, et al.
Pageof 2