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Article
EASYMIFS and SITEHOUND: a toolkit for the identification of ligand-binding sites in protein structures
Bioinformatics
  • Dario Ghersi, University of Nebraska at Omaha
  • Roberto Sanchez, Mount Sinai School of Medicine
Document Type
Article
Publication Date
9-29-2009
Disciplines
Abstract
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 fromhttp://sitehound.sanchezlab.org/download.html.
Comments

This is a pre-copyedited, author-produced PDF of an article accepted for publication in Bioinformatics following peer review. The version of record Ghersi D, Sanchez R, “EasyMIFs and SiteHound: tools for the identification of ligand-binding sites in protein structures”, Bioinformatics 2009, 25(23):3185-6 is available online at: http://bioinformatics.oxfordjournals.org/content/25/23/3185.abstract.

Citation Information
Dario Ghersi and Roberto Sanchez. "EASYMIFS and SITEHOUND: a toolkit for the identification of ligand-binding sites in protein structures" Bioinformatics Vol. 25 Iss. 23 (2009) p. 3185 - 3186
Available at: http://works.bepress.com/dario-ghersi/10/