Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological Channel
Author:
Affiliation:
1. Chemistry Department, CB 194, University of Colorado, Denver, Colorado 80217, United States
Funder
Division of Chemistry
Research Corporation for Science Advancement
Nvidia
Camille and Henry Dreyfus Foundation
University of Colorado Denver
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01128
Reference159 articles.
1. A QM/MM simulation method applied to the solution of Li+ in liquid ammonia
2. ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase
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4. Toward a Practical Method for Adaptive QM/MM Simulations
5. Recent progress in adaptive multiscale molecular dynamics simulations of soft matter
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