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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 Location

http://europepmc.org/articles/PMC4065164?pdf=render
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Abstract

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

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