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

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

doi:10.1093/bioinformatics/bts343

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

Ian Walsh, Giovanni Minervini, Alessandra Corazza, Gennaro Esposito, Silvio C.E. Tosatto, Federico Fogolari

Chemistry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English (US)
Article number	bts343
Pages (from-to)	2189-2190
Number of pages	2
Journal	Bioinformatics
Volume	28
Issue number	16
DOIs	https://doi.org/10.1093/bioinformatics/bts343
State	Published - Aug 2012

ASJC Scopus subject areas

Statistics and Probability
Biochemistry
Molecular Biology
Computer Science Applications
Computational Theory and Mathematics
Computational Mathematics

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10.1093/bioinformatics/bts343

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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.",

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AU - Fogolari, Federico

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

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