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Predicting water-to-cyclohexane partitioning of the SAMPL5 molecules using dielectric balancing of force fields

S. Shanaka Paranahewage, Cassidy S. Gierhart, Christopher J. Fennell. Predicting water-to-cyclohexane partitioning of the SAMPL5 molecules using dielectric balancing of force fields. Journal of Computer-Aided Molecular Design, 30(11):1059-1065, 2016. [doi]

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