LigSearch: a knowledge-based web server to identify likely ligands for a protein target

Identifying which ligands might bind to a protein before crystallization trials could provide a significant saving in time and resources. LigSearch, a web server aimed at predicting ligands that might bind to and stabilize a given protein, has been developed. Using a protein sequence and/or structur...

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Veröffentlicht in:Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2013-12, Vol.69 (12), p.2395-2402
Hauptverfasser: de Beer, Tjaart A. P., Laskowski, Roman A., Duban, Mark-Eugene, Chan, A. W. Edith, Anderson, Wayne F., Thornton, Janet M.
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container_end_page 2402
container_issue 12
container_start_page 2395
container_title Acta crystallographica. Section D, Biological crystallography.
container_volume 69
creator de Beer, Tjaart A. P.
Laskowski, Roman A.
Duban, Mark-Eugene
Chan, A. W. Edith
Anderson, Wayne F.
Thornton, Janet M.
description Identifying which ligands might bind to a protein before crystallization trials could provide a significant saving in time and resources. LigSearch, a web server aimed at predicting ligands that might bind to and stabilize a given protein, has been developed. Using a protein sequence and/or structure, the system searches against a variety of databases, combining available knowledge, and provides a clustered and ranked output of possible ligands. LigSearch can be accessed at http://www.ebi.ac.uk/thornton‐srv/databases/LigSearch.
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subjects BASIC BIOLOGICAL SCIENCES
Binding Sites
Biochemistry & Molecular Biology
Biophysics
Crystallization
Crystallography
Databases, Pharmaceutical
Databases, Protein
Expert Systems
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Internet
Intranets
ligand prediction
Ligands
LigSearch
Models, Molecular
Protein Binding
Proteins
Proteins - chemistry
Proteins - metabolism
Research Papers
Search Engine
Software
title LigSearch: a knowledge-based web server to identify likely ligands for a protein target
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