Comparative analysis of the unbinding pathways of antiviral drug Indinavir from HIV and HTLV1 proteases by supervised molecular dynamics simulation

Determining the unbinding pathways of potential small molecule compounds from their target proteins is of great significance for designing efficacious treatment solutions. One of these potential compounds is the approved HIV-1 protease inhibitor, Indinavir, which has a weak effect on the HTLV-1 prot...

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Detalles Bibliográficos
Autores principales: Sohraby, Farzin, Aryapour, Hassan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476009/
https://www.ncbi.nlm.nih.gov/pubmed/34570822
http://dx.doi.org/10.1371/journal.pone.0257916

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8476009/
https://www.ncbi.nlm.nih.gov/pubmed/34570822
http://dx.doi.org/10.1371/journal.pone.0257916

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