An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computations-Reference-Cited by-同舟云学术

An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computations

Published:2021 Issue:46 Volume:23 Page:26459-26467
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Prah Alja¹²,Mavri Janez¹,Stare Jernej¹^ORCID

Affiliation:

1. Theory Department, National Institute of Chemistry, Slovenia

2. University of Ljubljana, Faculty of Pharmacy, Slovenia

Abstract

Electrostatic interactions not only represent the main source of catalytic function of enzymes, but are also responsible for the fine tuning of their performance. We presently demonstrate this on the example of two related enzymes, MAO A and MAO B.

Funder

Javna Agencija za Raziskovalno Dejavnost RS

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03993H

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1. A perspective on biological catalysis

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