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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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Detalles Bibliográficos
Autores principales:	An, Xiaoli, Bai, Qifeng, Bai, Fang, Shi, Danfeng, Liu, Huanxiang, Yao, Xiaojun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6558189/ https://www.ncbi.nlm.nih.gov/pubmed/31214579 http://dx.doi.org/10.3389/fchem.2019.00406

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