Figure 3
From: Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water
(a) Water- and (b) ligand-based pharmacophore model of biotin. (c) The two models overlaid in the binding site of streptavidin. 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; negative (N), red.
