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Pavel V Klimovich

Showing results (1-10 of 5) with videos related to

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Journal of Computer-Aided Molecular Design|April 8, 2010
Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformationsPavel V Klimovich, David L Mobley
Journal of Computer-Aided Molecular Design|October 22, 2015
A Python tool to set up relative free energy calculations in GROMACSPavel V Klimovich, David L Mobley
The Journal of Chemical Physics|December 27, 2012
Perspective: Alchemical free energy calculations for drug discoveryDavid L Mobley, Pavel V Klimovich
Journal of Cheminformatics|November 24, 2018
Implicit-descriptor ligand-based virtual screening by means of collaborative filteringRaghuram Srinivas, Pavel V Klimovich, Eric C Larson
Journal of Computer-Aided Molecular Design|March 27, 2015
Guidelines for the analysis of free energy calculationsPavel V Klimovich, Michael R Shirts, David L Mobley
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Journal of Computer-Aided Molecular Design|April 8, 2010
Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformationsPavel V Klimovich, David L Mobley
Journal of Computer-Aided Molecular Design|October 22, 2015
A Python tool to set up relative free energy calculations in GROMACSPavel V Klimovich, David L Mobley
The Journal of Chemical Physics|December 27, 2012
Perspective: Alchemical free energy calculations for drug discoveryDavid L Mobley, Pavel V Klimovich
Journal of Cheminformatics|November 24, 2018
Implicit-descriptor ligand-based virtual screening by means of collaborative filteringRaghuram Srinivas, Pavel V Klimovich, Eric C Larson
Journal of Computer-Aided Molecular Design|March 27, 2015
Guidelines for the analysis of free energy calculationsPavel V Klimovich, Michael R Shirts, David L Mobley
Pageof 1