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The Journal of Physical Chemistry. B|August 24, 2024
L-DOPA Autoxidation: An Empirical Valence Bond Simulation of the Reactive StepAlja Prah, Janez MavriPhysical Chemistry Chemical Physics : PCCP|November 22, 2021
An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computationsAlja Prah, Janez Mavri, Jernej StareScientific Reports|December 19, 2022
Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reactionAlja Prah, Domen Pregeljc, Jernej Stare, et al.The Journal of Physical Chemistry. B|November 24, 2025
l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting StepGabriel Oanca, Alja Prah, Johan Åqvist, et al.Physical Chemistry Chemical Physics : PCCP|March 20, 2020
Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase AAlja Prah, Peter Ogrin, Janez Mavri, et al.International Journal of Molecular Sciences|August 30, 2020
Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond StudyTana Tandarić, Alja Prah, Jernej Stare, et al.The Journal of Physical Chemistry. B|August 27, 2020
How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive StepAlja Prah, Miha Purg, Jernej Stare, et al.Molecules (Basel, Switzerland)|October 14, 2022
Computational Insights into β-Carboline Inhibition of Monoamine Oxidase AAlja Prah, Tanja Gavranić, Andrej Perdih, et al.Molecules (Basel, Switzerland)|December 5, 2019
Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of BenzylamineMateusz Z Brela, Alja Prah, Marek Boczar, et al.Toxicology in Vitro : an International Journal Published in Association with BIBRA|August 15, 2012
Can the chemical reactivity of an ultimate carcinogen be related to its carcinogenicity? An application to propylene oxideJanez MavriPageof 7