Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water
Author:
Affiliation:
1. Department of Chemistry and Center for Bimolecular Simulation, Columbia University, 3000 Broadway, New York, New York 10027
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct049914s
Reference63 articles.
1. Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests
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4. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
5. Distributed multipole analysis, or how to describe a molecular charge distribution
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