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

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...

Full description

Bibliographic Details
Main Authors: Sugunadevi Sakkiah, Chandrabose Selvaraj, Wenjing Guo, Jie Liu, Weigong Ge, Tucker A. Patterson, Huixiao Hong
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:International Journal of Molecular Sciences
Subjects:
molecular docking
molecular dynamics simulations
quantum mechanical calculations
estrogen receptor
dynamic binding pattern
Online Access:https://www.mdpi.com/1422-0067/22/17/9371

Internet

https://www.mdpi.com/1422-0067/22/17/9371

Similar Items