Improving the Performance of the Coupled Reference Interaction Site Model−Hyper-netted Chain (RISM−HNC)/Simulation Method for Free Energy of Solvation-Reference-Cited by-同舟云学术

Improving the Performance of the Coupled Reference Interaction Site Model−Hyper-netted Chain (RISM−HNC)/Simulation Method for Free Energy of Solvation

Published:2008-02-01 Issue:8 Volume:112 Page:2340-2348
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Freedman Holly¹,Le Ly¹,Tuszynski Jack A.¹,Truong Thanh N.¹

Affiliation:

1. Department of Oncology, University of Alberta, Cross Cancer Institute, 11560 University Avenue, Edmonton, AB, Canada, AB T6G 1Z2, Department of Physics, University of Alberta, 11322-89 Avenue, Edmonton, AB, Canada, AB T6G 2G7, and Henry Eyring Center for Theoretical Chemistry, Department of Chemistry, University of Utah, 315 South 1400 East, Room 2020, Salt Lake City, Utah 84112

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/jp077179l

Reference57 articles.

1. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

2. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models

3. A Comparison of Non-Bonded Scaling Approaches for Free Energy Calculations

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