title: PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites.
abstract: The regulation of protein activity is a key aspect of life at the molecular level. Unveiling its details is thus crucial to understanding signalling and metabolic pathways. The most common and powerful mechanism of protein-function regulation is allostery, which has been increasingly calling the attention of medicinal chemists due to its potential for the discovery of novel therapeutics. In this context, PARS is a simple and fast method that queries protein dynamics and structural conservation to identify pockets on a protein structure that may exert a regulatory effect on the binding of a small-molecule ligand.
authors.affiliation: Institute of Biotechnology and Biomedicine (IBB), Universitat Autònoma de Barcelona (UAB), Bellaterra 08193, Spain and Catalan Institution for Research and Advanced Studies (ICREA), Barcelona 08010, Spain.
authors.forename: Alejandro
authors.initials: A
authors.lastname: Panjkovich
authors.forename: Xavier
authors.initials: X
authors.lastname: Daura
mesh_terms: D000494:Allosteric Regulation; D000495:Allosteric Site; D020407:Internet; D008024:Ligands; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012984:Software
chemical_list: D008024:Ligands; D011506:Proteins