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|Alternative name||EDinburgh University Ligand Selection System|
|Restrictions to use||None|
Publication for EDinburgh University Ligand Selection System
Molecular modeling and docking of small molecule inhibitors against NEK2
[…] 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
[…] 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
[…] 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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