Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data
Author:
Affiliation:
1. Department of Chemistry, Stanford University, 318 Campus Drive, Stanford, California 94350, United States
2. Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300826t
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5. Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins
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