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)