Protein-protein interaction specificity is captured by contact preferences and interface composition.

ABSTRACT:

Motivation

Large-scale computational docking will be increasingly used in future years to discriminate protein-protein interactions at the residue resolution. Complete cross-docking experiments make in silico reconstruction of protein-protein interaction networks a feasible goal. They ask for efficient and accurate screening of the millions structural conformations issued by the calculations.

Results

We propose CIPS (Combined Interface Propensity for decoy Scoring), a new pair potential combining interface composition with residue-residue contact preference. CIPS outperforms several other methods on screening docking solutions obtained either with all-atom or with coarse-grain rigid docking. Further testing on 28 CAPRI targets corroborates CIPS predictive power over existing

SUBMITTER: Nadalin F 

PROVIDER: S-EPMC5860360 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature