Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins

Valdebenito-Maturana, Braulio; Reyes-Suarez, Jose Antonio; Henriquez, Jaime; Holmes, David S.; Quatrini, Raquel; Pohl, Ehmke; Arenas-Salinas, Mauricio

doi:10.1002/jcc.24712

Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins

Valdebenito-Maturana, Braulio; Reyes-Suarez, Jose Antonio; Henriquez, Jaime; Holmes, David S.; Quatrini, Raquel; Pohl, Ehmke; Arenas-Salinas, Mauricio

Authors

Braulio Valdebenito-Maturana

Jose Antonio Reyes-Suarez

Jaime Henriquez

David S. Holmes

Raquel Quatrini

Professor Ehmke Pohl ehmke.pohl@durham.ac.uk
Professor

Mauricio Arenas-Salinas

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

Citation

Valdebenito-Maturana, B., Reyes-Suarez, J. A., Henriquez, J., Holmes, D. S., Quatrini, R., Pohl, E., & Arenas-Salinas, M. (2017). Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins. Journal of Computational Chemistry, 38(7), 467-474. https://doi.org/10.1002/jcc.24712

Journal Article Type	Article
Acceptance Date	Dec 7, 2016
Online Publication Date	Jan 23, 2017
Publication Date	Jan 23, 2017
Deposit Date	Sep 5, 2017
Publicly Available Date	Jan 23, 2018
Journal	Journal of Computational Chemistry
Print ISSN	0192-8651
Electronic ISSN	1096-987X
Publisher	Wiley
Peer Reviewed	Peer Reviewed
Volume	38
Issue	7
Pages	467-474
DOI	https://doi.org/10.1002/jcc.24712

Files

Accepted Journal Article (2 Mb)
PDF

Copyright Statement
This is the accepted version of the following article: Valdebenito-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, which has been published in final form at https://doi.org/10.1002/jcc.24712. This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.