Field-SEA: a model for computing the solvation free energies of nonpolar, polar, and charged solutes in water.
- Author(s): Dill, Ken
- Li, L
- Fennell, CJ
- Dill, KA
- et al.
Published Web Locationhttp://europepmc.org/articles/PMC4065164?pdf=render
Previous work describes a computational solvation model called semi-explicit assembly (SEA). The SEA water model computes the free energies of solvation of nonpolar and polar solutes in water with good efficiency and accuracy. However, SEA gives systematic