Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules
Author:
Affiliation:
1. Department of Chemistry, McGill University, 801 Sherbrooke Street W., Montréal, QC, Canada H3A 0B8
2. Chemical Computing Group Inc., 1010 Sherbrooke Street W., Montréal, QC, Canada H3A 2R7
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00645
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5. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
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