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Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation

While drug resistance mutations can often be attributed to the loss of direct or solvent-mediated protein−ligand interactions in the drug-mutant complex, in this study we show that a resistance mutation for the picomolar HIV-1 capsid (CA)-targeting antiviral (GS-6207) is mainly due to the free energ...

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Detalles Bibliográficos
Autores principales:	Sun, Qinfang, Levy, Ronald M., Kirby, Karen A., Wang, Zhengqiang, Sarafianos, Stefan G., Deng, Nanjie
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8156065/ https://www.ncbi.nlm.nih.gov/pubmed/34063519 http://dx.doi.org/10.3390/v13050920

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