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

Ian Walsh | Zendy; Giovanni Minervini | Zendy; Alessandra Corazza | Zendy; Gennaro Esposito | Zendy; Silvio C. E. Tosatto | Zendy; Federico Fogolari | Zendy

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

Author(s) -

Ian Walsh,

Giovanni Minervini,

Alessandra Corazza,

Gennaro Esposito,

Silvio C. E. Tosatto,

Federico Fogolari

Publication year - 2012

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/bts343

Subject(s) - electrostatics , computer science , web server , type (biology) , feature (linguistics) , mutant , surface protein , process (computing) , wild type , theoretical computer science , computational science , artificial intelligence , the internet , biology , chemistry , programming language , operating system , genetics , ecology , linguistics , philosophy , virology , gene

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.

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