Deciphering the Inhibition Mechanism of under Trial Hsp90 Inhibitors and Their Analogues: A Comparative Molecular Dynamics Simulation
Author:
Affiliation:
1. Computational Biology Lab, National Center for Bioinformatics (NCB), Quaid-i-Azam University, Islamabad 45320, Pakistan
Funder
Higher Education Commision, Pakistan
United States Agency for International Development
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b01134
Reference93 articles.
1. Hsp90 Inhibitors, Part 1: Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening
2. Structural Determination of Three Different Series of Compounds as Hsp90 Inhibitors Using 3D-QSAR Modeling, Molecular Docking and Molecular Dynamics Methods
3. Dual inhibition of chaperoning process by taxifolin: Molecular dynamics simulation study
4. Targeting the dynamic HSP90 complex in cancer
5. HSP90 and the chaperoning of cancer
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