Do you need a fast accurate way to calculate free energies of solvation of small molecules? SEA Water (Semi-Explicit Assembly) is as fast as implicit-water and as physically accurate as TIP3P explicit, as validated in the blind prediction competition called SAMPL [Brini et al. J Comput-aided Mater, 2016; Li et al. J Comput Aided Mol Des, 2014; Li, Fennell and Dill, J Chem Phys, 2014; Fennell, Kehoe and Dill. Proc Natl Acad Sci USA, 2011].
LauferWorks 