QM/MM Minimum Free-Energy Path: Methodology and Application to Triosephosphate Isomerase
Author:
Affiliation:
1. Department of Chemistry, Duke University, Durham, North Carolina 27708
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct600240y
Reference92 articles.
1. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations
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