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 |
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container_title | Acta crystallographica. Section D, Biological crystallography. |
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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. |
doi_str_mv | 10.1107/S0907444913022294 |
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P. ; Laskowski, Roman A. ; Duban, Mark-Eugene ; Chan, A. W. Edith ; Anderson, Wayne F. ; Thornton, Janet M.</creator><creatorcontrib>de Beer, Tjaart A. P. ; Laskowski, Roman A. ; Duban, Mark-Eugene ; Chan, A. W. Edith ; Anderson, Wayne F. ; Thornton, Janet M. ; Argonne National Lab. (ANL), Argonne, IL (United States)</creatorcontrib><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. 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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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