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 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 25 Issue: 12
  • Publication Date: 2009
  • Doi Number: 10.1093/bioinformatics/btp240
  • Title of Journal : BIOINFORMATICS
  • Page Numbers: pp.1513-1520

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.