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"Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA ..."
Matthew Harger et al. (2017)
- 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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