Literature DB >> 22711791

Bluues server: electrostatic properties of wild-type and mutated protein structures.

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/.

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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


  25 in total

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10.  Structure, folding dynamics, and amyloidogenesis of D76N β2-microglobulin: roles of shear flow, hydrophobic surfaces, and α-crystallin.

Authors:  P Patrizia Mangione; Gennaro Esposito; Annalisa Relini; Sara Raimondi; Riccardo Porcari; Sofia Giorgetti; Alessandra Corazza; Federico Fogolari; Amanda Penco; Yuji Goto; Young-Ho Lee; Hisashi Yagi; Ciro Cecconi; Mohsin M Naqvi; Julian D Gillmore; Philip N Hawkins; Fabrizio Chiti; Ranieri Rolandi; Graham W Taylor; Mark B Pepys; Monica Stoppini; Vittorio Bellotti
Journal:  J Biol Chem       Date:  2013-09-06       Impact factor: 5.157

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