Among the other residues of the ligand binding pocket there was a specific stabilization of F404 by para-phenol (1). In sum, the MD simulations showed that the binding of para-phenol (1) to the ERa LBD resulted in a relatively more stable ligand-receptor complex compared to metaphenol (2) or isoindolin-5-ol (3) despite the absence of a full complement of H-bonding interactions between the phenol and the ligand binding pocket.