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Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy Methods

The p53-MDMX interaction has attracted extensive attention of anti-cancer drug development in recent years. This current work adopted molecular dynamics (MD) simulations and cross-correlation analysis to investigate conformation changes of MDMX caused by inhibitor bindings. The obtained information...

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Detalles Bibliográficos
Autores principales:	Shi, Shuhua, Zhang, Shaolong, Zhang, Qinggang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4625964/ https://www.ncbi.nlm.nih.gov/pubmed/26513747 http://dx.doi.org/10.1371/journal.pone.0141409

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