GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent-excluding surface
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference29 articles.
1. Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.
2. Dispersion and repulsion contributions to the solvation energy: Refinements to a simple computational model in the continuum approximation
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4. An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation
5. Molecular surface area and hydrophobic effect
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