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J Comput Chem. 2017 Mar 15;38(7):467-474. doi: 10.1002/jcc.24712.

Mutantelec: An In Silico mutation simulation platform for comparative electrostatic potential profiling of proteins.

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Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, Talca, 346 5548, Chile.
Fundación Ciencia & Vida, Santiago, 778 0272, Chile.
Facultad de Ciencias Biologicas, Universidad Andres Bello, Santiago, Chile.
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.


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.


Electrostatic potential; PDB; bioinformatics; p53; protein engineering; rational protein design; site-directed mutagenesis

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