Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases
Author:
Affiliation:
1. Centre for Computational Science, Department of Chemistry, University College London, London, WC1H 0AJ, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci100007w
Reference71 articles.
1. Thermodynamic rules for the design of high affinity HIV-1 protease inhibitors with adaptability to mutations and high selectivity towards unwanted targets
2. Thermodynamic dissection of the binding energetics of KNI‐272, a potent HIV‐1 protease inhibitor
3. Human Immunodeficiency Virus
4. Kinetic Properties of Saquinavir-Resistant Mutants of Human Immunodeficiency Virus Type 1 Protease and Their Implications in Drug Resistance in Vivo
5. Overcoming drug resistance in HIV-1 chemotherapy: The binding thermodynamics of Amprenavir and TMC-126 to wild-type and drug-resistant mutants of the HIV-1 protease
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