Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

Estrogen receptor alpha (ERα) is a ligand-dependent transcriptional factor in the nuclear receptor superfamily. Many structures of ERα bound with agonists and antagonists have been determined. However, the dynamic binding patterns of agonists and antagonists in the binding site of ERα remains unclea...

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Detalles Bibliográficos
Autores principales: Sakkiah, Sugunadevi, Selvaraj, Chandrabose, Guo, Wenjing, Liu, Jie, Ge, Weigong, Patterson, Tucker A., Hong, Huixiao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8431471/
https://www.ncbi.nlm.nih.gov/pubmed/34502280
http://dx.doi.org/10.3390/ijms22179371

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