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Aids the researcher in the selection and preparation of ligands-as well as the desired protein receptor-for a Virtual Screening (VS) procedure. The LigQ web based tool is divided in four semi-independent modules that allow user to determine: 1) the receptor ligand binding pocket, 2) the known ligands for the desired protein and family members, 3) a set of purchasable ligands enriched in potential binders, and 4) 3D structures for selected ligands ready for the VS.

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LigQ classification

LigQ specifications

Restrictions to use:
Input format:
PDB, UniProt
Input data:
a target ID.
Computer skills:

LigQ support


  • Marcelo Martí <>


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Departamento de Química Biológica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina; Insituto de Química Biológica de la Facultad de Ciencias Exactas y Naturales (IQUIBICENCONICET), Buenos Aires, Argentina; Department of Physical Chemistry, Faculty of Pharmacy and Institute of Biomedicine (IBUB), University of Barcelona, Barcelona, Spain; Catalan Institution for Research and Advanced Studies (ICREA), Barcelona, Spain

Funding source(s)

Supported by grants PICT-GSK-2012-057 and PIP1220110100850, PICT-2010-2805, the Spanish Ministerio de Economía (SAF2012-33481), and the Catalan government (2014 SGR 1189).

Link to literature

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