GalaxyRefineComplex: Refinement of protein-protein complex model structures driven by interface repacking.

ABSTRACT: Protein-protein docking methods have been widely used to gain an atomic-level understanding of protein interactions. However, docking methods that employ low-resolution energy functions are popular because of computational efficiency. Low-resolution docking tends to generate protein complex structures that are not fully optimized. GalaxyRefineComplex takes such low-resolution docking structures and refines them to improve model accuracy in terms of both interface contact and inter-protein orientation. This refinement method allows flexibility at the protein interface and in the overall docking structure to capture conformational changes that occur upon binding. Symmetric refinement is also provided for symmetric homo-complexes. This method was validated by refining models produced by avail

SUBMITTER: Heo L 

PROVIDER: S-EPMC4989233 | biostudies-literature | 2016 Aug

REPOSITORIES: biostudies-literature