Modified Anderson Method for Accelerating 3D-RISM Calculations Using Graphics Processing Unit
Author:
Affiliation:
1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585, Japan
2. Department of Functional Molecular Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300355r
Reference77 articles.
1. Water Molecules in a Protein Cavity Detected by a Statistical−Mechanical Theory
2. Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation
3. Selective Ion-Binding by Protein Probed with the 3D-RISM Theory
4. Selective Ion Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory
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