Accurate Prediction of Docked Protein Structure Similarity.

ABSTRACT: One of the major challenges for protein-protein docking methods is to accurately discriminate nativelike structures. The protein docking community agrees on the existence of a relationship between various favorable intermolecular interactions (e.g. Van der Waals, electrostatic, desolvation forces, etc.) and the similarity of a conformation to its native structure. Different docking algorithms often formulate this relationship as a weighted sum of selected terms and calibrate their weights against specific training data to evaluate and rank candidate structures. However, the exact form of this relationship is unknown and the accuracy of such methods is impaired by the pervasiveness of false positives. Unlike the conventional scoring functions, we propose a novel machine learning approach th

SUBMITTER: Akbal-Delibas B 

PROVIDER: S-EPMC4575526 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature