Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease
Author:
Affiliation:
1. Department of Chemistry, University of California, Riverside, Riverside, California 92521, United States
2. ChemConsulting LLC, Frederick, Maryland 21704, United States
Funder
Division of Molecular and Cellular Biosciences
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Biochemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.biochem.6b01112
Reference76 articles.
1. Modeling Protein−Ligand Binding by Mining Minima
2. Molecular Recognition and Ligand Association
3. Best Practices in Free Energy Calculations for Drug Design
4. Binding kinetics and mechanism of action: toward the discovery and development of better and best in class drugs
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