Publications by authors named "Alja Prah"

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l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting Step.
Gabriel Oanca, Alja Prah, Johan Åqvist, Janez Mavri

J Phys Chem B· December 2025

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Deciphering the Two-Step Hydride Mechanism of Monoamine Oxidase Flavoenzymes.
Martina Rajić, Alja Prah, Jernej Stare

ACS Omega· October 2024

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L-DOPA Autoxidation: An Empirical Valence Bond Simulation of the Reactive Step.
Alja Prah, Janez Mavri

J Phys Chem B· September 2024

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Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction.
Alja Prah, Domen Pregeljc, Jernej Stare, Janez Mavri

Sci Rep· December 2022

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Computational Insights into β-Carboline Inhibition of Monoamine Oxidase A.
Alja Prah, Tanja Gavranić, Andrej Perdih, Marija Sollner Dolenc, Janez Mavri

Molecules· October 2022

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An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computations.
Alja Prah, Janez Mavri, Jernej Stare

Phys Chem Chem Phys· December 2021

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How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step.
Alja Prah, Miha Purg, Jernej Stare, Robert Vianello, Janez Mavri

J Phys Chem B· September 2020

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Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study.
Tana Tandarić, Alja Prah, Jernej Stare, Janez Mavri, Robert Vianello

Int J Mol Sci· August 2020

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Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A.
Alja Prah, Peter Ogrin, Janez Mavri, Jernej Stare

Phys Chem Chem Phys· April 2020

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Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of Benzylamine.
Mateusz Z Brela, Alja Prah, Marek Boczar, Jernej Stare, Janez Mavri

Molecules· November 2019

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