The LabelHash server and tools for substructure-based functional annotation

Mark Moll; Drew H Bryant; Lydia E Kavraki

doi:10.1093/bioinformatics/btr343

The LabelHash server and tools for substructure-based functional annotation

Bioinformatics. 2011 Aug 1;27(15):2161-2. doi: 10.1093/bioinformatics/btr343. Epub 2011 Jun 8.

Authors

Mark Moll¹, Drew H Bryant, Lydia E Kavraki

Affiliation

¹ Department of Computer Science, Rice University, Houston, TX 77005, USA. mmoll@rice.edu

PMID: 21659320
DOI: 10.1093/bioinformatics/btr343

Abstract

Summary: The LabelHash server and tools are designed for large-scale substructure comparison. The main use is to predict the function of unknown proteins. Given a set of (putative) functional residues, LabelHash finds all occurrences of matching substructures in the entire Protein Data Bank, along with a statistical significance estimate and known functional annotations for each match. The results can be downloaded for further analysis in any molecular viewer. For Chimera, there is a plugin to facilitate this process.

Availability: The web site is free and open to all users with no login requirements at http://labelhash.kavrakilab.org

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Algorithms
Amino Acid Motifs
Computational Biology / methods
Databases, Protein*
Internet*
Molecular Sequence Annotation / methods*
Proteins / metabolism*
Structure-Activity Relationship
User-Computer Interface

Substances

Proteins