Insights into the interaction mechanisms of estrogen-related receptor alpha (ERRα) with ligands via molecular dynamics simulations
Author:
Affiliation:
1. Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1666034
Reference52 articles.
1. A Single Nucleotide in an Estrogen-Related Receptor α Site Can Dictate Mode of Binding and Peroxisome Proliferator-Activated Receptor γ Coactivator 1α Activation of Target Promoters
2. Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data
3. IDF Diabetes Atlas: Global estimates of diabetes prevalence for 2017 and projections for 2045
4. Ding, K., Wong, C., Kang, Z. & Zhou, X. (2011). Compounds as the estrogen related receptors modulators and the uses thereof. CN Patent No. ZL200810026782.0.
5. Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling
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1. In Silico Prediction of ERRα Agonists Based on Combined Features and Stacking Ensemble Method;ChemMedChem;2024-08-19
2. Ligand pathways in estrogen-related receptors;Journal of Biomolecular Structure and Dynamics;2022-01-24
3. Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking;Journal of Chemical Information and Modeling;2022-01-18
4. Comprehensive Analysis of ESRRA in Endometrial Cancer;Technology in Cancer Research & Treatment;2021-01-01
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