title: ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.
abstract: The ProBiS-ligands web server predicts binding of ligands to a protein structure. Starting with a protein structure or binding site, ProBiS-ligands first identifies template proteins in the Protein Data Bank that share similar binding sites. Based on the superimpositions of the query protein and the similar binding sites found, the server then transposes the ligand structures from those sites to the query protein. Such ligand prediction supports many activities, e.g. drug repurposing. The ProBiS-ligands web server, an extension of the ProBiS web server, is open and free to all users at http://probis.cmm.ki.si/ligands.
authors.affiliation: National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia konc@cmm.ki.si.
authors.forename: Janez
authors.initials: J
authors.lastname: Konc
authors.affiliation: University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies, Glagoljaška 8, 6000 Koper, Slovenia konc@cmm.ki.si.
authors.forename: Dušanka
authors.initials: D
authors.lastname: Janežič
mesh_terms: D001665:Binding Sites; D020407:Internet; D008024:Ligands; D062105:Molecular Docking Simulation; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism*; D012984:Software
chemical_list: D008024:Ligands; D011506:Proteins