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

Tjaart A.P. De Beer; Roman A. Laskowski; Mark Eugene Duban; A. W. Edith Chan; Wayne F. Anderson; Janet M. Thornton

doi:10.1107/S0907444913022294

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

Tjaart A.P. De Beer, Roman A. Laskowski, Mark Eugene Duban, A. W. Edith Chan, Wayne F. Anderson, Janet M. Thornton^*

^*Corresponding author for this work

Biochemistry and Molecular Genetics

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

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 http://www.ebi.ac.uk/thornton-srv/databases/LigSearch.

Original language	English (US)
Pages (from-to)	2395-2402
Number of pages	8
Journal	Acta Crystallographica Section D: Biological Crystallography
Volume	69
Issue number	12
DOIs	https://doi.org/10.1107/S0907444913022294
State	Published - Dec 2013

Keywords

LigSearch
Ligand prediction

ASJC Scopus subject areas

Structural Biology

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10.1107/S0907444913022294

Cite this

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title = "LigSearch: A knowledge-based web server to identify likely ligands for a protein target",

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 http://www.ebi.ac.uk/thornton-srv/databases/LigSearch.",

keywords = "LigSearch, Ligand prediction",

author = "{De Beer}, {Tjaart A.P.} and Laskowski, {Roman A.} and Duban, {Mark Eugene} and {Edith Chan}, {A. W.} and Anderson, {Wayne F.} and Thornton, {Janet M.}",

year = "2013",

month = dec,

doi = "10.1107/S0907444913022294",

language = "English (US)",

volume = "69",

pages = "2395--2402",

journal = "Acta Crystallographica Section D: Structural Biology",

issn = "0907-4449",

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number = "12",

}

LigSearch : A knowledge-based web server to identify likely ligands for a protein target. / De Beer, Tjaart A.P.; Laskowski, Roman A.; Duban, Mark Eugene; Edith Chan, A. W.; Anderson, Wayne F.; Thornton, Janet M.

In: Acta Crystallographica Section D: Biological Crystallography, Vol. 69, No. 12, 12.2013, p. 2395-2402.

Research output: Contribution to journal › Article › peer-review

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T2 - A knowledge-based web server to identify likely ligands for a protein target

AU - De Beer, Tjaart A.P.

AU - Laskowski, Roman A.

AU - Duban, Mark Eugene

AU - Edith Chan, A. W.

AU - Anderson, Wayne F.

AU - Thornton, Janet M.

PY - 2013/12

Y1 - 2013/12

N2 - 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.

AB - 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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KW - Ligand prediction

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

Abstract

Keywords

ASJC Scopus subject areas

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