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EDULISS specifications


Unique identifier OMICS_07387
Alternative name EDinburgh University Ligand Selection System
Restrictions to use None
Maintained No

Publication for EDinburgh University Ligand Selection System

EDULISS citations


Molecular modeling and docking of small molecule inhibitors against NEK2

PMCID: 5237649
PMID: 28104962
DOI: 10.6026/97320630012062
call_split See protocol

[…] The ligands from different databases (ChemBridge, Maybridge, Pubchem, Sigma Aldrich, Specs) were downloaded from EDinburgh University LIgand Selection System (EDULISS) []. Schrodinger ligand preparation product, Ligprep was used to prepare high quality, all atom 3D structures. The ligand preparation included 2D– […]


Structure and Ligand Based Virtual Screening Identifies New Scaffolds for Inhibitors of the Oncoprotein MDM2

PLoS One
PMCID: 4401541
PMID: 25884407
DOI: 10.1371/journal.pone.0121424

[…] d library compound comparison is based on Euclidean distance, i.e. the shorter the distance between the indices of query and library molecule, the more the connectivity of their bonds is similar. The EDULISS search returned 4,545 molecules.In addition, the rigid-body docking program LIDAEUS [] was used to dock the conformer virtual library into the p53 binding site of the MDM2 crystal structure. T […]


Structure based and ligand based virtual screening of novel methyltransferase inhibitors of the dengue virus

BMC Bioinformatics
PMCID: 3278841
PMID: 22373153
DOI: 10.1186/1471-2105-12-S13-S24
call_split See protocol

[…] niverSity) [] program was used to search for potential inhibitors based on a map of the NS5 MTase binding site by screening approximately 5 million commercially available chemical compounds. EDULISS (EDinburgh University LIgand Selection System) [] is a chemical compound database that was used throughout this study to screen for potential inhibitors based on structural similarities with the known […]


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EDULISS institution(s)
The Centre for Translational and Chemical Biology, The University of Edinburgh, King's Buildings, Edinburgh, UK

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