Comparison of Molecular Mechanics, Semi-Empirical Quantum Mechanical, and Density Functional Theory Methods for Scoring Protein–Ligand Interactions

Published 2013 View Full Article

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Title
Comparison of Molecular Mechanics, Semi-Empirical Quantum Mechanical, and Density Functional Theory Methods for Scoring Protein–Ligand Interactions
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 117, Issue 27, Pages 8075-8084
Publisher
American Chemical Society (ACS)
Online
2013-06-13
DOI
10.1021/jp402719k

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