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

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


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.

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

Publication types

  • Comparative Study
  • News
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acids / chemistry
  • Amino Acids / genetics
  • Computer Simulation*
  • Ligands
  • Molecular Dynamics Simulation
  • Mutagenesis, Site-Directed
  • Mutant Proteins / chemistry*
  • Mutant Proteins / genetics*
  • Mutation*
  • Static Electricity*
  • User-Computer Interface


  • Amino Acids
  • Ligands
  • Mutant Proteins