Interolog interfaces in protein-protein docking.

ABSTRACT: Proteins are essential elements of biological systems, and their function typically relies on their ability to successfully bind to specific partners. Recently, an emphasis of study into protein interactions has been on hot spots, or residues in the binding interface that make a significant contribution to the binding energetics. In this study, we investigate how conservation of hot spots can be used to guide docking prediction. We show that the use of evolutionary data combined with hot spot prediction highlights near-native structures across a range of benchmark examples. Our approach explores various strategies for using hot spots and evolutionary data to score protein complexes, using both absolute and chemical definitions of conservation along with refinements to these strategies that

SUBMITTER: Alsop JD 

PROVIDER: S-EPMC5054918 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature