Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, 207 Pleasant St. SE, University of Minnesota, Minneapolis, Minnesota
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/jp809094y
Reference71 articles.
1. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
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3. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
4. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
5. Quantum Mechanical Continuum Solvation Models
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