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Physical Chemistry Chemical Physics : PCCP|April 29, 2016
Insights into enzyme point mutation effect by molecular simulation: phenylethylamine oxidation catalyzed by monoamine oxidase AGabriel Oanca, Miha Purg, Janez Mavri, 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.
The Protein Journal|June 8, 2023
How Azide Ion/Hydrazoic Acid Passes Through Biological Membranes: An Experimental and Computational StudySimona Lojevec Hartl, Simon Žakelj, Marija Sollner Dolenc, et al.
The Journal of Physical Chemistry. A|January 30, 2008
Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS studyJernej Stare, Jarosław Panek, Juergen Eckert, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase BRok Borštnar, Matej Repič, Shina Caroline Lynn Kamerlin, et al.
Frontiers in Chemistry|June 13, 2018
Evidence for a Cyanine Link Between Propargylamine Drugs and Monoamine Oxidase Clarifies the Inactivation MechanismAlen Albreht, Irena Vovk, Janez Mavri, et al.
Journal of Pharmaceutical Sciences|June 10, 2011
Determination of the interaction between glimepiride and hyperbranched polymers in solid dispersionsDavid Pahovnik, Sebastjan Reven, Jože Grdadolnik, et al.
Biomolecules|April 27, 2024
Computational Modeling and Characterization of Peptides Derived from Nanobody Complementary-Determining Region 2 (CDR2) Targeting Active-State Conformation of the β2-Adrenergic Receptor (β2AR)Milan Sencanski, Sanja Glisic, Valentina Kubale, et al.
The Journal of Physical Chemistry. B|April 27, 2011
Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy studyJernej Stare, Janez Mavri, Jože Grdadolnik, et al.
International Journal of Molecular Sciences|March 13, 2012
Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent modelHassan H Abdallah, Janez Mavri, Matej Repič, et al.
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