Acta Crystallographica Section D

Biological Crystallography

Volume 69, Part 12 (December 2013)

research papers

Acta Cryst. (2013). D69, 2395-2402    [ doi:10.1107/S0907444913022294 ]

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

T. A. P. de Beer, R. A. Laskowski, M.-E. Duban, A. W. E. Chan, W. F. Anderson and J. M. Thornton

Abstract: 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 .

Keywords: LigSearch; ligand prediction.

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[ doi:10.1107/S0907444913022294/rr5044sup1.html ]
A table containing extensive validation data for 200 enzymes and their substrates.


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