Recent studies have questioned the consistency and applicability of the existing implicit-solvent models in which solvent accessible surfaces (SAS) or solvent excluded surfaces (SES) are pre-defined, and used for the calculation of solvation free energies. As an emerging concept and theory, the variational implicit solvation determines equilibri...
Creator:
Li, Bo (University of California, San Diego)
Created:
2008-12-09
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.