"Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA ..."

Matthew Harger et al. (2017)

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DOI: 10.1002/JCC.24853

access: closed

type: Journal Article

metadata version: 2021-10-14

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Matthew Harger, Daniel Li, Zhi Wang, Kevin N. Dalby, Louis Lagardère, Jean-Philip Piquemal, Jay W. Ponder, Pengyu Y. Ren:
Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs. J. Comput. Chem. 38(23): 2047-2055 (2017)

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