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 Lettjournal_title
FEBS lettersauthors
Xue LC,Dobbs D,Bonvin AM,Honavar Vdoi
10.1016/j.febslet.2015.10.003subject
Has Abstractpub_date
2015-11-30 00:00:00pages
3516-26issue
23eissn
0014-5793issn
1873-3468pii
S0014-5793(15)00883-2journal_volume
589pub_type
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