The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations
Fig 3
Conformation change of H6, β1 and β2 of hERRγ (residues 317–341).
a) The initial structure of the protein with BPA shown in yellow sticks; b) The conformations of the studied regions at different times; c) The poses of BPA in the binding pocket at different times; d) Time revolution of the RMSD of backbone atoms of residues 317–341.