"Multi-phase Boltzmann weighting: accounting for local inhomogeneity in ..."

Andreas Krämer et al. (2020)

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DOI: 10.1007/S10822-020-00285-2

access: closed

type: Journal Article

metadata version: 2020-05-30

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  - https://dblp.org/rec/journals/jcamd/KramerHJB20
Andreas Krämer, Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks:
Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water-octanol partition coefficients in the SAMPL6 challenge. J. Comput. Aided Mol. Des. 34(5): 471-483 (2020)

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