A carregar...

HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state

[Image: see text] We report unrestrained, all-atom molecular dynamics simulations of HIV-1 protease (HIV-PR) with a continuum solvent model that reproducibly sample closing of the active site flaps following manual placement of a cyclic urea inhibitor into the substrate binding site of the open prot...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Main Authors: Hornak, Viktor, Okur, Asim, Rizzo, Robert C., Simmerling, Carlos
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2555982/
https://ncbi.nlm.nih.gov/pubmed/16506755
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja058211x
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!