"FESetup: Automating Setup for Alchemical Free Energy Simulations."

Hannes H. Loeffler, Julien Michel, Christopher J. Woods (2015)

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DOI: 10.1021/ACS.JCIM.5B00368

access: closed

type: Journal Article

metadata version: 2020-03-06

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Hannes H. Loeffler, Julien Michel, Christopher J. Woods:
FESetup: Automating Setup for Alchemical Free Energy Simulations. J. Chem. Inf. Model. 55(12): 2485-2490 (2015)

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