Search Results - Prah, Alja

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  1. 1
    Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction

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

    Published in Scientific reports
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  2. 2
    Computational Insights into β-Carboline Inhibition of Monoamine Oxidase A

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

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  3. 3
    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

    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 by Tandarić, Tana, Prah, Alja, Stare, Jernej, Mavri, Janez, Vianello, Robert

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  4. 4
    Deciphering the Two-Step Hydride Mechanism of Monoamine Oxidase Flavoenzymes

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

    Published in ACS omega
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  5. 5
    Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of Benzylamine

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

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  6. 6
    L‑DOPA Autoxidation: An Empirical Valence Bond Simulation of the Reactive Step

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

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  7. 7
    How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

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

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  8. 8
    An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computations

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

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  9. 9
    Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A

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

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  10. 10
    Electrostatics as the Driving Force Behind the Catalytic Function of the Monoamine Oxidase A Enzyme Confirmed by Quantum Computations

    Electrostatics as the Driving Force Behind the Catalytic Function of the Monoamine Oxidase A Enzyme Confirmed by Quantum Computations by Prah, Alja, Frančišković, Eric, Mavri, Janez, Stare, Jernej

    Published in ACS catalysis
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