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Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation

The smoothened receptor (Smo) plays a key role in Hedgehog (Hh) signaling pathway and it has been regarded as an efficacious therapeutic target for basal cell carcinoma (BCC) and medulloblastoma (MB). Nevertheless, the resistance mutation and active mutants of Smo have put forward the requirement of...

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Bibliografiske detaljer
Udgivet i:Front Chem
Main Authors: An, Xiaoli, Bai, Qifeng, Bai, Fang, Shi, Danfeng, Liu, Huanxiang, Yao, Xiaojun
Format: Artigo
Sprog:Inglês
Udgivet: Frontiers Media S.A. 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6558189/
https://ncbi.nlm.nih.gov/pubmed/31214579
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00406
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