Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy

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Tuncbag N., Gursoy A., Keskin O.

BIOINFORMATICS, vol.25, no.12, pp.1513-1520, 2009 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 25 Issue: 12
  • Publication Date: 2009
  • Doi Number: 10.1093/bioinformatics/btp240
  • Journal Name: BIOINFORMATICS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1513-1520
  • Middle East Technical University Affiliated: No

Abstract

Motivation: Hot spots are residues comprising only a small fraction of interfaces yet accounting for the majority of the binding energy. These residues are critical in understanding the principles of protein interactions. Experimental studies like alanine scanning mutagenesis require significant effort; therefore, there is a need for computational methods to predict hot spots in protein interfaces.