Beyond structural genomics: Computational approaches for the identification of ligand binding sites in protein structures

Dario Ghersi, Roberto Sanchez

Research output: Contribution to journalArticlepeer-review

38 Scopus citations

Abstract

Structural genomics projects have revealed structures for a large number of proteins of unknown function. Understanding the interactions between these proteins and their ligands would provide an initial step in their functional characterization. Binding site identification methods are a fast and cost-effective way to facilitate the characterization of functionally important protein regions. In this review we describe our recently developed methods for binding site identification in the context of existing methods. The advantage of energy-based approaches is emphasized, since they provide flexibility in the identification and characterization of different types of binding sites.

Original languageEnglish (US)
Pages (from-to)109-117
Number of pages9
JournalJournal of Structural and Functional Genomics
Volume12
Issue number2
DOIs
StatePublished - Jul 2011
Externally publishedYes

Keywords

  • Binding site
  • Function
  • Interaction
  • Ligand
  • Prediction
  • Structure

ASJC Scopus subject areas

  • Structural Biology
  • Biochemistry
  • Genetics

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