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Dynamics revelation of conformational changes and binding modes of heat shock protein 90 induced by inhibitor associations

Heat shock protein 90 (Hsp90) has been an attractive target of potential drug design for antitumor treatment. The current work integrates molecular dynamics (MD) simulations, calculations of binding free energy, and principal component (PC) analysis with scanning of inhibitor–residue interaction to...

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Detalles Bibliográficos
Autores principales:	Chen, Jianzhong, Wang, Jinan, Lai, Fengbo, Wang, Wei, Pang, Laixue, Zhu, Weiliang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082529/ https://www.ncbi.nlm.nih.gov/pubmed/35539786 http://dx.doi.org/10.1039/c8ra05042b

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