A Python tool to set up relative free energy calculations...

Journal of Computer-Aided Molecular Design 2015 / 11 Vol. 29; Iss. 11

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

Klimovich, Pavel V., Mobley, David L.
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Volume:
29
Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-015-9873-0
Date:
November, 2015
File:
PDF, 1.29 MB
english, 2015
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