Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent Inhibitors

Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent Inhibitors

Bromodomain and extra-terminal domain (BET) subfamily is the most studied subfamily of bromodomain-containing proteins (BCPs) family which can modulate acetylation signal transduction and produce diverse physiological functions. Thus, the BET family can be treated as an alternative strategy for targ...

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Bibliographic Details
Main Authors: Siao Chen, Yi He, Yajiao Geng, Zhi Wang, Lu Han, Weiwei Han
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
bromodomain and extra-terminal protein 4 (BRD4)
inhibitors
molecular dynamic simulations
conformational changes
MM-GBSA calculations
Online Access:https://www.mdpi.com/1420-3049/27/1/118

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https://www.mdpi.com/1420-3049/27/1/118

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