Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis

Binding of different ligands to glucocorticoid receptor (GR) may induce different conformational changes and even trigger completely opposite biological functions. To understand the allosteric communication within the GR ligand binding domain, the folding pathway of helix 12 (H12) induced by the bin...

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Detalles Bibliográficos
Autores principales: Hu, Xueping, Pang, Jinping, Zhang, Jintu, Shen, Chao, Chai, Xin, Wang, Ercheng, Chen, Haiyi, Wang, Xuwen, Duan, Mojie, Fu, Weitao, Xu, Lei, Kang, Yu, Li, Dan, Xia, Hongguang, Hou, Tingjun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8787434/
https://www.ncbi.nlm.nih.gov/pubmed/34825505
http://dx.doi.org/10.1002/advs.202102435

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8787434/
https://www.ncbi.nlm.nih.gov/pubmed/34825505
http://dx.doi.org/10.1002/advs.202102435

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