Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models

Miguel Jorge, Nuno M. Garrido, Carlos J. V. Simões, Cândida G. Silva, Rui M. M. Brito. Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models. Journal of Computational Chemistry, 38(6):346-358, 2017. [doi]

Abstract

Abstract is missing.