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

Valdebenito-Maturana, Braulio and Reyes-Suarez, Jose Antonio and Henriquez, Jaime and Holmes, David S. and Quatrini, Raquel and Pohl, Ehmke and Arenas-Salinas, Mauricio (2017) 'Mutantelec : AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins.', Journal of computational chemistry., 38 (7). pp. 467-474.

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

Item Type:Article
Full text:(AM) Accepted Manuscript
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1002/jcc.24712
Publisher 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.
Date accepted:07 December 2016
Date deposited:06 September 2017
Date of first online publication:23 January 2017
Date first made open access:23 January 2018

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