Journal Article

E<span class="smallCaps">asy</span>MIF<span class="smallCaps">s</span> and S<span class="smallCaps">ite</span>H<span class="smallCaps">ound</span>: a toolkit for the identification of ligand-binding sites in protein structures

Dario Ghersi and Roberto Sanchez

in Bioinformatics

Volume 25, issue 23, pages 3185-3186
Published in print December 2009 | ISSN: 1367-4803
Published online September 2009 | e-ISSN: 1460-2059 | DOI: http://dx.doi.org/10.1093/bioinformatics/btp562
EasyMIFs and SiteHound: a toolkit for the identification of ligand-binding sites in protein structures

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Summary: 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.

Availability: EasyMIFs and SiteHound executables for Linux, Mac OS X, and MS Windows operating systems are freely available for download from http://sitehound.sanchezlab.org/download.html.

Contact: roberto@sanchezlab.org or roberto.sanchez@mssm.edu

Supplementary information: Supplementary data are available at Bioinformatics online.

Journal Article.  1486 words.  Illustrated.

Subjects: Bioinformatics and Computational Biology

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