Work

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

Year: 2012

Type: article

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 Contact: [email protected]; [email protected] Supplementary information: Supplementary data are available at Bioinformatics online.

Source: Bioinformatics

DOI: 10.1093/bioinformatics/bts095

Authors: Yingjie Lin, Seungyeul Yoo, Roberto Sanchez

Institution: Icahn School of Medicine at Mount Sinai

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

Funders: National Institutes of Health, National Human Genome Research Institute, National Institute of General Medical Sciences

Awards: G1537249616, Chemical Genomics Paradigm for Epigentic Regulation, G4963949644, High-Accuracy Modeling for Remote Homologues of Known Structures