ER dimer

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ERa Dimer aMD • Estrogen receptor H12 helice transformation from Apo to Agonist form after dimer formation. 65ns long aMD simulation with an interval between frames of 100ps. H12 is marked in green. The complex was per-equilibrated by classical MD. According to our calculations H12 transformation is ONLY possible or at least more likely after dimer formation. • Presumably the transformation is possible by 3 different paths. The Agonist to Antagonist conformation might be reversible and dependent of the ligands, i.e. the agonist such as estradiol stabilize the agonist H12 conformation. •    • ER dimer4a  

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