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Mutantelec: An In Silico mutation simulation platform for comparative electrostatic potential profiling of proteins
Author(s) -
ValdebenitoMaturana Braulio,
ReyesSuarez Jose Antonio,
Henriquez Jaime,
Holmes David S.,
Quatrini Raquel,
Pohl Ehmke,
ArenasSalinas Mauricio
Publication year - 2017
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24712
Subject(s) - in silico , mutant , mutagenesis , computational biology , visualization , electrostatics , mutation , chemistry , directed mutagenesis , site directed mutagenesis , target protein , computer science , biology , biochemistry , data mining , gene
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.