PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites

Abstract Summary: 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. Availability: PARS is freely available as a web server at http://bioinf.uab.cat/pars. Contact: xavier.daura@uab.cat Supplementary information: Supplementary data are available at Bioinformatics online.