Pub. Date : 2019 May
PMID : 30831350
4 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Computational insights on agonist and antagonist mechanisms of estrogen receptor alpha induced by bisphenol A analogues. | bisphenol A | estrogen receptor 1 | Homo sapiens |
| 2 | Thus, we adopted computational models combining molecular dynamics simulations and binding free energy calculations to explore the underlying molecular basis of BPA analogues binding to estrogen receptor alpha (ERalpha). | bisphenol A | estrogen receptor 1 | Homo sapiens |
| 3 | Thus, we adopted computational models combining molecular dynamics simulations and binding free energy calculations to explore the underlying molecular basis of BPA analogues binding to estrogen receptor alpha (ERalpha). | bisphenol A | estrogen receptor 1 | Homo sapiens |
| 4 | Moreover, antagonists of BPA analogues could indirectly induce the structural reposition of key helix 12 and produce an antagonistic conformation of ERalpha. | bisphenol A | estrogen receptor 1 | Homo sapiens |