"Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest ..."

Marie L. Laury et al. (2018)

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DOI: 10.1007/S10822-018-0147-5

access: closed

type: Journal Article

metadata version: 2023-09-30

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Marie L. Laury, Zhi Wang, Aaron S. Gordon, Jay W. Ponder:
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field. J. Comput. Aided Mol. Des. 32(10): 1087-1095 (2018)

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