Computational prediction of protein interfaces: A review of data driven methods.

Abstract:

:Reliably pinpointing which specific amino acid residues form the interface(s) between a protein and its binding partner(s) is critical for understanding the structural and physicochemical determinants of protein recognition and binding affinity, and has wide applications in modeling and validating protein interactions predicted by high-throughput methods, in engineering proteins, and in prioritizing drug targets. Here, we review the basic concepts, principles and recent advances in computational approaches to the analysis and prediction of protein-protein interfaces. We point out caveats for objectively evaluating interface predictors, and discuss various applications of data-driven interface predictors for improving energy model-driven protein-protein docking. Finally, we stress the importance of exploiting binding partner information in reliably predicting interfaces and highlight recent advances in this emerging direction.

journal_name

FEBS Lett

journal_title

FEBS letters

authors

Xue LC,Dobbs D,Bonvin AM,Honavar V

doi

10.1016/j.febslet.2015.10.003

subject

Has Abstract

pub_date

2015-11-30 00:00:00

pages

3516-26

issue

23

eissn

0014-5793

issn

1873-3468

pii

S0014-5793(15)00883-2

journal_volume

589

pub_type

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