Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model. - Sebastian Diaz-Rodriguez; Samantha M. Bozada; Jeremy R. Phifer; Andrew S. Paluch (J. Comput. Aided Mol. Des., 2016)

Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection. - Courtney E. Cox; Jeremy R. Phifer; Larissa Ferreira da Silva; Gabriel Gonçalves Nogueira; Ryan T. Ley; Elizabeth J. O'Loughlin; Ana Karolyne Pereira Barbosa; Brett T. Rygelski; Andrew S. Paluch (J. Comput. Aided Mol. Des., 2017)