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Journal of Neural Transmission (Vienna, Austria : 1996)|April 3, 2013
Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitorMatic Pavlin, Janez Mavri, Matej Repič, 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.
Journal of Agricultural and Food Chemistry|August 30, 2008
Carcinogenicity of acrylamide: a computational studyKatja Galesa, Urban Bren, Agata Kranjc, et al.
The Journal of Physical Chemistry. A|July 15, 2006
Influence of substituents on the anharmonicity of nus(OH) vibration in phenol derivatives explored by experimental and theoretical approachBogusława Czarnik-Matusewicz, Maria Rospenk, Aleksander Koll, et al.
The Journal of Chemical Physics|June 8, 2007
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuumAneta Jezierska, Jarosław J Panek, Aleksander Koll, et al.
Journal of Computational Chemistry|May 27, 2022
Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic esterMarc F Lensink, Janez Mavri, Herman J C Berendsen
Chemico-Biological Interactions|November 10, 2015
A quantum chemical study of the reactivity of acetaminophen (paracetamol) toxic metabolite N-acetyl-p-benzoquinone imine with deoxyguanosine and glutathioneIvana Klopčič, Matic Poberžnik, Janez Mavri, et al.
The Journal of Organic Chemistry|May 20, 2006
Chemical reactivity as a tool to study carcinogenicity: reaction between chloroethylene oxide and guanineUrban Bren, Mateja Zupan, F Peter Guengerich, et al.
Acta Chimica Slovenica|November 5, 2021
Local Anesthetics Transfer Across the Membrane: Reproducing Octanol-Water Partition Coefficients by Solvent Reaction Field MethodsHana Kavcic, Nejc Umek, Domen Pregeljc, 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.
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