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

Pavel V. Klimovich, David L. Mobley (2015)

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DOI: 10.1007/S10822-015-9873-0

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - journals/jcamd/KlimovichM15
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  - https://dblp.org/rec/journals/jcamd/KlimovichM15
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)

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