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David E Shaw

Showing results (31-40 of 142) with videos related to

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Journal of Chemical Theory and Computation|January 9, 2020
Development of a Force Field for the Simulation of Single-Chain Proteins and Protein-Protein ComplexesStefano Piana, Paul Robustelli, Dazhi Tan, et al.
Journal of Medicinal Chemistry|March 16, 2019
Fragment Hits: What do They Look Like and How do They Bind?Fabrizio Giordanetto, Chentian Jin, Lindsay Willmore, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 17, 2009
Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3Natalia Jura, Yibing Shan, Xiaoxian Cao, et al.
Journal of Chemical Theory and Computation|February 12, 2016
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein SystemsAlbert C Pan, Thomas M Weinreich, Stefano Piana, et al.
Journal of Chemical Information and Modeling|July 9, 2020
AutoPH4: An Automated Method for Generating Pharmacophore Models from Protein Binding PocketsSiduo Jiang, Miklos Feher, Chris Williams, et al.
Science (New York, N.Y.)|September 26, 2015
Structural origin of slow diffusion in protein foldingHoi Sung Chung, Stefano Piana-Agostinetti, David E Shaw, et al.
Drug Discovery Today|March 5, 2013
Molecular determinants of drug-receptor binding kineticsAlbert C Pan, David W Borhani, Ron O Dror, et al.
Current Opinion in Structural Biology|April 14, 2009
Long-timescale molecular dynamics simulations of protein structure and functionJohn L Klepeis, Kresten Lindorff-Larsen, Ron O Dror, et al.
The Journal of General Physiology|June 2, 2010
Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulationsRon O Dror, Morten Ø Jensen, David W Borhani, et al.
Journal of the American Chemical Society|February 21, 2012
Structure and dynamics of an unfolded protein examined by molecular dynamics simulationKresten Lindorff-Larsen, Nikola Trbovic, Paul Maragakis, et al.
Pageof 15

Showing results (31-40 of 142) with videos related to

Sort By:
Pageof 15
Journal of Chemical Theory and Computation|January 9, 2020
Development of a Force Field for the Simulation of Single-Chain Proteins and Protein-Protein ComplexesStefano Piana, Paul Robustelli, Dazhi Tan, et al.
Journal of Medicinal Chemistry|March 16, 2019
Fragment Hits: What do They Look Like and How do They Bind?Fabrizio Giordanetto, Chentian Jin, Lindsay Willmore, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 17, 2009
Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3Natalia Jura, Yibing Shan, Xiaoxian Cao, et al.
Journal of Chemical Theory and Computation|February 12, 2016
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein SystemsAlbert C Pan, Thomas M Weinreich, Stefano Piana, et al.
Journal of Chemical Information and Modeling|July 9, 2020
AutoPH4: An Automated Method for Generating Pharmacophore Models from Protein Binding PocketsSiduo Jiang, Miklos Feher, Chris Williams, et al.
Science (New York, N.Y.)|September 26, 2015
Structural origin of slow diffusion in protein foldingHoi Sung Chung, Stefano Piana-Agostinetti, David E Shaw, et al.
Drug Discovery Today|March 5, 2013
Molecular determinants of drug-receptor binding kineticsAlbert C Pan, David W Borhani, Ron O Dror, et al.
Current Opinion in Structural Biology|April 14, 2009
Long-timescale molecular dynamics simulations of protein structure and functionJohn L Klepeis, Kresten Lindorff-Larsen, Ron O Dror, et al.
The Journal of General Physiology|June 2, 2010
Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulationsRon O Dror, Morten Ø Jensen, David W Borhani, et al.
Journal of the American Chemical Society|February 21, 2012
Structure and dynamics of an unfolded protein examined by molecular dynamics simulationKresten Lindorff-Larsen, Nikola Trbovic, Paul Maragakis, et al.
Pageof 15