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Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules

Emiliano Brini, S. Shanaka Paranahewage, Christopher J. Fennell, Ken A. Dill. Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules. Journal of Computer-Aided Molecular Design, 30(11):1067-1077, 2016. [doi]

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