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Pavel V. Klimovich

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2018
[j5]
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  - journals/jcheminf/SrinivasKL18
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Raghuram Srinivas, Pavel V. Klimovich, Eric C. Larson:
Implicit-descriptor ligand-based virtual screening by means of collaborative filtering. J. Cheminformatics 10(1): 56:1-56:20 (2018)
2015
[j4]
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Pavel V. Klimovich, Michael R. Shirts, David L. Mobley:
Guidelines for the analysis of free energy calculations. J. Comput. Aided Mol. Des. 29(5): 397-411 (2015)
[j3]
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Pavel V. Klimovich, David L. Mobley:
A Python tool to set up relative free energy calculations in GROMACS. J. Comput. Aided Mol. Des. 29(11): 1007-1014 (2015)
2013
[j2]
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Pavel V. Klimovich, David L. Mobley:
Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations. J. Comput. Aided Mol. Des. 27(1): 105 (2013)
2010
[j1]
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Pavel V. Klimovich, David L. Mobley:
Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations. J. Comput. Aided Mol. Des. 24(4): 307-316 (2010)

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