"Alchemical free energy simulations without speed limits. A generic ..."

Marcus Wieder et al. (2022)

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DOI: 10.1002/JCC.26877

access: open

type: Journal Article

metadata version: 2023-09-12

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Marcus Wieder, Markus Fleck, Benedict Braunsfeld, Stefan Boresch:
Alchemical free energy simulations without speed limits. A generic framework to calculate free energy differences independent of the underlying molecular dynamics program. J. Comput. Chem. 43(17): 1151-1160 (2022)

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