DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites.

ABSTRACT: Over the past decade, protein-protein interactions have emerged as attractive but challenging targets for therapeutic intervention using small molecules. Due to the relatively flat surfaces that typify protein interaction sites, modern virtual screening tools developed for optimal performance against "traditional" protein targets perform less well when applied instead at protein interaction sites. Previously, we described a docking method specifically catered to the shallow binding modes characteristic of small-molecule inhibitors of protein interaction sites. This method, called DARC (Docking Approach using Ray Casting), operates by comparing the topography of the protein surface when "viewed" from a vantage point inside the protein against the topography of a bound ligand when "viewed" f

SUBMITTER: Gowthaman R 

PROVIDER: S-EPMC4504481 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature