| Literature DB >> 22711791 |
Ian Walsh1, Giovanni Minervini, Alessandra Corazza, Gennaro Esposito, Silvio C E Tosatto, Federico Fogolari.
Abstract
MOTIVATION: Electrostatic calculations are an important tool for deciphering many functional mechanisms in proteins. Generalized Born (GB) models offer a fast and convenient computational approximation over other implicit solvent-based electrostatic models. Here we present a novel GB-based web server, using the program Bluues, to calculate numerous electrostatic features including pKa-values and surface potentials. The output is organized allowing both experts and beginners to rapidly sift the data. A novel feature of the Bluues server is that it explicitly allows to find electrostatic differences between wild-type and mutant structures. AVAILABILITY: The Bluues server, examples and extensive help files are available for non-commercial use at URL: http://protein.bio.unipd.it/bluues/.Entities:
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Year: 2012 PMID: 22711791 DOI: 10.1093/bioinformatics/bts343
Source DB: PubMed Journal: Bioinformatics ISSN: 1367-4803 Impact factor: 6.937