Performance of SM8 on a Test To Predict Small-Molecule Solvation Free Energies
Author:
Affiliation:
1. Department of Chemistry and Research Computing Center, 207 Pleasant Street SE, University of Minnesota, Minneapolis, Minnesota 55455-0431
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/jp8028038
Reference41 articles.
1. Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry
2. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
3. Free energy calculations: Applications to chemical and biochemical phenomena
4. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
5. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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