Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites
Author:
Affiliation:
1. Chemistry Department, University of Colorado Denver, Denver, Colorado 80217-3364, United States
2. Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208, United States
Funder
Division of Chemistry
Camille and Henry Dreyfus Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500553x
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