The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations
Fig 10
The binding pose of E2 and BPA in the binding site at 100 ns.
a) Binding mode of E2; b) Binding mode of BPA. The ligands are shown in yellow ball and sticks. hERα is shown in slate cartoon. Hydrogen bonds formed between the ligand and receptors are indicated as red dashed lines.