The Ion-Dipole Correction of the 3DRISM Solvation Model to Accurately Compute Water Distributions around Negatively Charged Biomolecules
Author:
Affiliation:
1. Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin−Madison, Madison, Wisconsin53706, United States
Funder
Wisconsin Alumni Research Foundation
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c04431
Reference74 articles.
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4. A Parameterization of Empirical Sigma Enlarging Bridge Correction of Kovalenko-Hirata Closure in Ornstein-Zernike Theory for Lennard-Jones Fluids
5. Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution
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