title: Mutantelec: An In Silico mutation simulation platform for comparative electrostatic potential profiling of proteins.
abstract: The electrostatic potential plays a key role in many biological processes like determining the affinity of a ligand to a given protein target, and they are responsible for the catalytic activity of many enzymes. Understanding the effect that amino acid mutations will have on the electrostatic potential of a protein, will allow a thorough understanding of which residues are the most important in a protein. MutantElec, is a friendly web application for in silico generation of site-directed mutagenesis of proteins and the comparison of electrostatic potential between the wild type protein and the mutant(s), based on the three-dimensional structure of the protein. The effect of the mutation is evaluated using different approach to the traditional surface map. MutantElec provides a graphical display of the results that allows the visualization of changes occurring at close distance from the mutation and thus uncovers the local and global impact of a specific change. © 2017 Wiley Periodicals, Inc.
authors.affiliation: Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, Talca, 346 5548, Chile.
authors.forename: Braulio
authors.initials: B
authors.lastname: Valdebenito-Maturana
authors.affiliation: Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, Talca, 346 5548, Chile.
authors.forename: Jose Antonio
authors.initials: JA
authors.lastname: Reyes-Suarez
authors.affiliation: Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, Talca, 346 5548, Chile.
authors.forename: Jaime
authors.initials: J
authors.lastname: Henriquez
authors.affiliation: Fundación Ciencia & Vida, Santiago, 778 0272, Chile.|Facultad de Ciencias Biologicas, Universidad Andres Bello, Santiago, Chile.
authors.forename: David S
authors.initials: DS
authors.lastname: Holmes
authors.affiliation: Fundación Ciencia & Vida, Santiago, 778 0272, Chile.
authors.forename: Raquel
authors.initials: R
authors.lastname: Quatrini
authors.affiliation: Department of Chemistry, Durham University, Durham, DH1 3LE, United Kingdom.|Department of Biosciences, Durham University, Durham, DH1 3LE, United Kingdom.|Biophysical Sciences Institute, Durham University, Durham, DH1 3LE, United Kingdom.
authors.forename: Ehmke
authors.initials: E
authors.lastname: Pohl
authors.affiliation: Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, Talca, 346 5548, Chile.
authors.forename: Mauricio
authors.initials: M
authors.lastname: Arenas-Salinas
mesh_terms: D000596:Amino Acids / Q000737:chemistry / Q000235:genetics; D003198:Computer Simulation; D008024:Ligands; D056004:Molecular Dynamics Simulation; D016297:Mutagenesis, Site-Directed; D050505:Mutant Proteins / Q000737:chemistry* / Q000235:genetics*; D009154:Mutation; D055672:Static Electricity; D014584:User-Computer Interface
chemical_list: D000596:Amino Acids; D008024:Ligands; D050505:Mutant Proteins
keywords: Electrostatic potential; PDB; bioinformatics; p53; protein engineering; rational protein design; site-directed mutagenesis