"Performance of Relative Binding Free Energy Calculations on an ..."

Daniel Cappel et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00290

access: closed

type: Journal Article

metadata version: 2021-09-16

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Daniel Cappel, Jean-Christophe Mozziconacci, Tatjana Braun, Thomas Steinbrecher:
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular Pairs. J. Chem. Inf. Model. 61(7): 3421-3430 (2021)

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