DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites
Fig 1
Schematic illustration of the DARC approach.
We begin by using a geometry-based method to define the target pocket on the protein surface [24]. Next, we define a series of rays that emanate from a vantage point inside the protein. Collectively, the distance at which these rays reach the protein surface describes the topography of the protein surface in this region, as “seen” from this vantage point. If a bound ligand is complementary to the protein surface, its surface topography will “look” similar to that of the protein surface when viewed from this vantage point; in other words, each ray will intersect the ligand at similar distance as its intersection with the protein surface.