Figure 5
From: Combining docking with pharmacophore filtering for improved virtual screening
The ATP binding site and the two pharmacophore filters defined for CDK2. A) The required locations for hydrogen bond-donating atoms (blue-dotted spheres) and a hydrogen bond-accepting atom (red-dotted sphere) in the hinge region. B) Overlapping yellow-dotted spheres delineating the space to be filled by hydrophobic packing in the main pocket of the binding site. This figure was generated using PyMOL [22].