Hydration Thermodynamics Using the Reference Interaction Site Model: Speed or Accuracy?
Author:
Affiliation:
1. Max Planck Institute for Mathematics in the Sciences, Inselstrasse 22, Leipzig, 04103, Germany
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/jp111271c
Reference79 articles.
1. Solvent effects on conformational stability of peptides: RISM analyses
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3. Analysis on conformational stability of C-peptide of ribonuclease A in water using the reference interaction site model theory and Monte Carlo simulated annealing
4. Evaluation of the SCF Combination of KS-DFT and 3D-RISM-KH; Solvation Effect on Conformational Equilibria, Tautomerization Energies, and Activation Barriers
5. Reference interaction site model study of self-aggregating cyanine dyes
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