Revealing Origin of Decrease in Potency of Darunavir and Amprenavir against HIV-2 relative to HIV-1 Protease by Molecular Dynamics Simulations

Clinical inhibitors Darunavir (DRV) and Amprenavir (APV) are less effective on HIV-2 protease (PR2) than on HIV-1 protease (PR1). To identify molecular basis associated with the lower inhibition, molecular dynamics (MD) simulations and molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) cal...

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Detalles Bibliográficos
Autores principales: Chen, Jianzhong, Liang, Zhiqiang, Wang, Wei, Yi, Changhong, Zhang, Shaolong, Zhang, Qinggang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4217091/
https://www.ncbi.nlm.nih.gov/pubmed/25362963
http://dx.doi.org/10.1038/srep06872

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4217091/
https://www.ncbi.nlm.nih.gov/pubmed/25362963
http://dx.doi.org/10.1038/srep06872

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