EasyMIFs and SiteHound: A toolkit for the identification of ligand-binding sites in protein structures

Dario Ghersi, Roberto Sanchez

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

SiteHound uses Molecular Interaction Fields (MIFs) produced by EasyMIFs to identify protein structure regions that show a high propensity for interaction with ligands. The type of binding site identified depends on the probe atom used in the MIF calculation. The input to EasyMIFs is a PDB file of a protein structure; the output MIF serves as input to SiteHound, which in turn produces a list of putative binding sites. Extensive testing of SiteHound for the detection of binding sites for drug-like molecules and phosphorylated ligands has been carried out.

Original languageEnglish (US)
Article numberbtp562
Pages (from-to)3185-3186
Number of pages2
JournalBioinformatics
Volume25
Issue number23
DOIs
StatePublished - Sep 29 2009

Fingerprint

Molecular interactions
Binding sites
Protein Structure
Binding Sites
Ligands
Proteins
Interaction
Atoms
Drugs
Molecules
Probe
Testing
Pharmaceutical Preparations
Output

ASJC Scopus subject areas

  • Statistics and Probability
  • Biochemistry
  • Molecular Biology
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Computational Mathematics

Cite this

EasyMIFs and SiteHound : A toolkit for the identification of ligand-binding sites in protein structures. / Ghersi, Dario; Sanchez, Roberto.

In: Bioinformatics, Vol. 25, No. 23, btp562, 29.09.2009, p. 3185-3186.

Research output: Contribution to journalArticle

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