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Journal of Computer-Aided Molecular Design|August 28, 2016
Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation modelSebastian Diaz-Rodriguez, Samantha M Bozada, Jeremy R Phifer, et al.Journal of Computer-Aided Molecular Design|January 30, 2017
Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selectionCourtney E Cox, Jeremy R Phifer, Larissa Ferreira da Silva, et al.Pageof 1