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Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C–A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations

Heat shock protein (Hsp) 90 an emerging and attracting target in the anti-HIV drug discovery process due to the key role it plays in the pathogenicity of HIV-1 virus. In this research study, long-range all-atom molecular dynamics simulations were engaged for the bound and the unbound proteins to enh...

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Detalles Bibliográficos
Autores principales: Cele, Favourite N., Kumalo, Hezekiel, Soliman, Mahmoud E. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7090554/
https://www.ncbi.nlm.nih.gov/pubmed/27376828
http://dx.doi.org/10.1007/s12013-016-0743-8