Publication details for Prof. Ehmke PohlValdebenito-Maturana, Braulio, Reyes-Suarez, Jose Antonio, Henriquez, Jaime, Holmes, David S., Quatrini, Raquel, Pohl, Ehmke & Arenas-Salinas, Mauricio (2017). Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins. Journal of Computational Chemistry 38(7): 467-474.
- Publication type: Journal Article
- ISSN/ISBN: 0192-8651 (print), 1096-987X (electronic)
- DOI: 10.1002/jcc.24712
- Further publication details on publisher web site
- Durham Research Online (DRO) - may include full text
Author(s) from Durham
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