InterPepRank

Assessment of Docked Peptide Conformations by a Deep Graph Network. Abstract Motivation Peptide-protein interactions between a smaller or disordered peptide stretch and a folded receptor make up a large part of all protein-protein interactions. A common approach for modelling such interactions is to exhaustively sample the conformational space by fast-fourier-transform docking, and then refine a top percentage of decoys. Commonly, methods capable of ranking the decoys for selection in short enough time for larger scale studies rely on first-principle energy terms such as electrostatics, Van der Waals forces, or on pre-calculated statistical pairwise potentials. Results We present InterPepRank for peptide-protein complex scoring and ranking