Concepedia

Pavel V. Klimovich

PV

Statistics

Publications

5

Citations

941

H-Index

5

Active since

2010

Affiliations

University of New Orleans(Current)

University of California, Irvine

Pavel V. Klimovich is an author at University of New Orleans specializing in engineering, natural sciences, and molecular design.

Top concepts

Publications per year

2010–2018

5

Publications

5

Guidelines for the analysis of free energy calculations

Pavel V. Klimovich, Michael R. Shirts, David L. Mobley · Journal of Computer-Aided Molecular Design · 2015 · 518 citations · Full text

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Perspective: Alchemical free energy calculations for drug discovery

David L. Mobley, Pavel V. Klimovich · The Journal of Chemical Physics · 2012 · 247 citations · Full text

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Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Pavel V. Klimovich, David L. Mobley · Journal of Computer-Aided Molecular Design · 2010 · 118 citations

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A Python tool to set up relative free energy calculations in GROMACS

Pavel V. Klimovich, David L. Mobley · Journal of Computer-Aided Molecular Design · 2015 · 38 citations · Full text

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Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Raghuram Srinivas, Pavel V. Klimovich, Eric C. Larson · Journal of Cheminformatics · 2018 · 20 citations · Full text

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