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David A Pearlman

Showing results (1-10 of 9) with videos related to

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Journal of Medicinal Chemistry|November 24, 2005
Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinaseDavid A Pearlman
Journal of Computer-Aided Molecular Design|July 30, 2021
Quantum simulations of SARS-CoV-2 main protease M<sup>pro</sup> enable high-quality scoring of diverse ligandsYuhang Wang, Sruthi Murlidaran, David A Pearlman
Proteins|September 23, 2014
Physics-based enzyme design: predicting binding affinity and catalytic activitySarah Sirin, David A Pearlman, Woody Sherman
Plos One|March 20, 2019
Predicting mutations deleterious to function in beta-lactamase TEM1 using MM-GBSAChristopher Negron, David A Pearlman, Guillermo Del Angel
Proteins|February 27, 2008
FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental dataDavid A Pearlman, B Govinda Rao, Paul Charifson
Protein Engineering, Design & Selection : PEDS|May 13, 2014
Structure-based approach to the prediction of disulfide bonds in proteinsNoeris K Salam, Matvey Adzhigirey, Woody Sherman, et al.
Journal of Chemical Information and Modeling|June 17, 2020
Rigorous Free Energy Simulations in Virtual ScreeningZoe Cournia, Bryce K Allen, Thijs Beuming, et al.
Journal of Chemical Information and Modeling|September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug DiscoveryTai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Chemistry & Biology|August 2, 2011
AAK1 identified as an inhibitor of neuregulin-1/ErbB4-dependent neurotrophic factor signaling using integrative chemical genomics and proteomicsLetian Kuai, Shao-En Ong, Jon M Madison, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of Medicinal Chemistry|November 24, 2005
Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinaseDavid A Pearlman
Journal of Computer-Aided Molecular Design|July 30, 2021
Quantum simulations of SARS-CoV-2 main protease M<sup>pro</sup> enable high-quality scoring of diverse ligandsYuhang Wang, Sruthi Murlidaran, David A Pearlman
Proteins|September 23, 2014
Physics-based enzyme design: predicting binding affinity and catalytic activitySarah Sirin, David A Pearlman, Woody Sherman
Plos One|March 20, 2019
Predicting mutations deleterious to function in beta-lactamase TEM1 using MM-GBSAChristopher Negron, David A Pearlman, Guillermo Del Angel
Proteins|February 27, 2008
FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental dataDavid A Pearlman, B Govinda Rao, Paul Charifson
Protein Engineering, Design & Selection : PEDS|May 13, 2014
Structure-based approach to the prediction of disulfide bonds in proteinsNoeris K Salam, Matvey Adzhigirey, Woody Sherman, et al.
Journal of Chemical Information and Modeling|June 17, 2020
Rigorous Free Energy Simulations in Virtual ScreeningZoe Cournia, Bryce K Allen, Thijs Beuming, et al.
Journal of Chemical Information and Modeling|September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug DiscoveryTai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Chemistry & Biology|August 2, 2011
AAK1 identified as an inhibitor of neuregulin-1/ErbB4-dependent neurotrophic factor signaling using integrative chemical genomics and proteomicsLetian Kuai, Shao-En Ong, Jon M Madison, et al.
Pageof 1