Strength of Hydrogen Bond Network Takes Crucial Roles in the Dissociation Process of Inhibitors from the HIV-1 Protease Binding Pocket

To understand the underlying mechanisms of significant differences in dissociation rate constant among different inhibitors for HIV-1 protease, we performed steered molecular dynamics (SMD) simulations to analyze the entire dissociation processes of inhibitors from the binding pocket of protease at...

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Detalles Bibliográficos
Autores principales: Li, Dechang, Ji, Baohua, Hwang, Keh-Chih, Huang, Yonggang
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2011
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3084818/
https://www.ncbi.nlm.nih.gov/pubmed/21559397
http://dx.doi.org/10.1371/journal.pone.0019268

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3084818/
https://www.ncbi.nlm.nih.gov/pubmed/21559397
http://dx.doi.org/10.1371/journal.pone.0019268

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