"A combined treatment of hydration and dynamical effects for the modeling ..."

Rajat Kumar Pal et al. (2017)

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DOI: 10.1007/S10822-016-9956-6

access: closed

type: Journal Article

metadata version: 2020-04-16

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Rajat Kumar Pal, Kamran Haider, Divya Kaur, William F. Flynn, Junchao Xia, Ronald M. Levy, Tetiana Taran, Lauren Wickstrom, Tom Kurtzman, Emilio Gallicchio:
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. J. Comput. Aided Mol. Des. 31(1): 29-44 (2017)

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