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Bioinformatics. 2012 Apr 15;28(8):1172-3. doi: 10.1093/bioinformatics/bts095. Epub 2012 Feb 24.

SiteComp: a server for ligand binding site analysis in protein structures.

Author information

  • 1Department of Structural and Chemical Biology, Mount Sinai School of Medicine, New York, NY 10029, USA.

Abstract

MOTIVATION:

Computational characterization of ligand-binding sites in proteins provides preliminary information for functional annotation, protein design and ligand optimization. SiteComp implements binding site analysis for comparison of binding sites, evaluation of residue contribution to binding sites and identification of sub-sites with distinct molecular interaction properties. Availability and implementation: The SiteComp server and tutorials are freely available at http://sitecomp.sanchezlab.org.

PMID:
22368247
[PubMed - indexed for MEDLINE]
PMCID:
PMC3324516
Free PMC Article

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