Figure 4
From: Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water
Ligand- and water-based pharmacophore model of AR. (a) 7 pharmacophore features of the ligand metribolone, AADHHHH, were generated by PHASE. (b) 4 pharmacophore features, DHHH, were generated by water pharmacophore model generation method. The pharmacophore features are numbered to help identification of each site and colored as follows: hydrogen bond acceptor (A), pink; hydrogen bond donor (D), skyblue; hydrophobic (H), green. To clarify the binding site of AR, the molecular surface is only shown.
