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Robert Abel

Showing results (21-30 of 82) with videos related to

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Proteins|September 10, 2011
The VSGB 2.0 model: a next generation energy model for high resolution protein structure modelingJianing Li, Robert Abel, Kai Zhu, et al.
Accounts of Chemical Research|July 6, 2017
Advancing Drug Discovery through Enhanced Free Energy CalculationsRobert Abel, Lingle Wang, Edward D Harder, et al.
Journal of Chemical Information and Modeling|August 18, 2023
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active LearningCésar de Oliveira, Karl Leswing, Shulu Feng, et al.
Current Opinion in Structural Biology|October 16, 2018
Modeling the value of predictive affinity scoring in preclinical drug discoveryRobert Abel, Eric S Manas, Richard A Friesner, et al.
The Journal of Physical Chemistry Letters|July 20, 2018
Conformational Free Energy Changes via an Alchemical Path without Reaction CoordinatesPeng He, Bin W Zhang, Shima Arasteh, et al.
Chemmedchem|April 21, 2011
Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteasesRobert Abel, Noeris K Salam, John Shelley, et al.
Journal of Clinical Pharmacology|April 24, 2010
Effect of gemfibrozil and fenofibrate on the pharmacokinetics of atorvastatinLloyd R Whitfield, Anthony R Porcari, Christine Alvey, et al.
Journal of Chemical Information and Modeling|October 29, 2020
Is Structure-Based Drug Design Ready for Selectivity Optimization?Steven K Albanese, John D Chodera, Andrea Volkamer, et al.
Journal of Chemical Theory and Computation|June 19, 2015
How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculationsJoseph W Kaus, Edward Harder, Teng Lin, et al.
Current Opinion in Structural Biology|May 22, 2013
Computational methods for high resolution prediction and refinement of protein structuresRichard A Friesner, Robert Abel, Dahlia A Goldfeld, et al.
Pageof 9

Showing results (21-30 of 82) with videos related to

Sort By:
Pageof 9
Proteins|September 10, 2011
The VSGB 2.0 model: a next generation energy model for high resolution protein structure modelingJianing Li, Robert Abel, Kai Zhu, et al.
Accounts of Chemical Research|July 6, 2017
Advancing Drug Discovery through Enhanced Free Energy CalculationsRobert Abel, Lingle Wang, Edward D Harder, et al.
Journal of Chemical Information and Modeling|August 18, 2023
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active LearningCésar de Oliveira, Karl Leswing, Shulu Feng, et al.
Current Opinion in Structural Biology|October 16, 2018
Modeling the value of predictive affinity scoring in preclinical drug discoveryRobert Abel, Eric S Manas, Richard A Friesner, et al.
The Journal of Physical Chemistry Letters|July 20, 2018
Conformational Free Energy Changes via an Alchemical Path without Reaction CoordinatesPeng He, Bin W Zhang, Shima Arasteh, et al.
Chemmedchem|April 21, 2011
Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteasesRobert Abel, Noeris K Salam, John Shelley, et al.
Journal of Clinical Pharmacology|April 24, 2010
Effect of gemfibrozil and fenofibrate on the pharmacokinetics of atorvastatinLloyd R Whitfield, Anthony R Porcari, Christine Alvey, et al.
Journal of Chemical Information and Modeling|October 29, 2020
Is Structure-Based Drug Design Ready for Selectivity Optimization?Steven K Albanese, John D Chodera, Andrea Volkamer, et al.
Journal of Chemical Theory and Computation|June 19, 2015
How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculationsJoseph W Kaus, Edward Harder, Teng Lin, et al.
Current Opinion in Structural Biology|May 22, 2013
Computational methods for high resolution prediction and refinement of protein structuresRichard A Friesner, Robert Abel, Dahlia A Goldfeld, et al.
Pageof 9