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Inhibition of the activity of HIV-1 protease through antibody binding and mutations probed by molecular dynamics simulations

HIV-1 protease is an essential enzyme in the life cycle of the HIV-1 virus. The conformational dynamics of the flap region of the protease is critical for the ligand binding mechanism, as well as for the catalytic activity. The monoclonal antibody F11.2.32 raised against HIV-1 protease inhibits its...

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Detalles Bibliográficos
Autores principales: Badaya, Apoorva, Sasidhar, Yellamraju U.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7098958/
https://www.ncbi.nlm.nih.gov/pubmed/32218488
http://dx.doi.org/10.1038/s41598-020-62423-y