MEGADOCK: an all-to-all protein-protein interaction prediction system using tertiary structure data.

ABSTRACT: The elucidation of protein-protein interaction (PPI) networks is important for understanding cellular structure and function and structure-based drug design. However, the development of an effective method to conduct exhaustive PPI screening represents a computational challenge. We have been investigating a protein docking approach based on shape complementarity and physicochemical properties. We describe here the development of the protein-protein docking software package "MEGADOCK" that samples an extremely large number of protein dockings at high speed. MEGADOCK reduces the calculation time required for docking by using several techniques such as a novel scoring function called the real Pairwise Shape Complementarity (rPSC) score. We showed that MEGADOCK is capable of exhaustive PPI scr

SUBMITTER: Ohue M 

PROVIDER: S-EPMC4443796 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature