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Biomolecules|February 5, 2020
Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from DeuterationMojca Kržan, Jan Keuschler, Janez Mavri, et al.
The Journal of Physical Chemistry. B|April 1, 2014
Examining electrostatic preorganization in monoamine oxidases A and B by structural comparison and pKa calculationsMatej Repič, Miha Purg, Robert Vianello, 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.
International Journal of Molecular Sciences|February 15, 2022
Why Monoamine Oxidase B Preferably Metabolizes N-Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting StepAleksandra Maršavelski, Janez Mavri, Robert Vianello, et al.
Computational and Structural Biotechnology Journal|March 1, 2022
COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymesLucija Hok, Hrvoje Rimac, Janez Mavri, et al.
FEBS Letters|May 4, 2010
Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issuesShina Caroline Lynn Kamerlin, Janez Mavri, A Warshel
Molecular Neurobiology|June 18, 2015
The Chemistry of Neurodegeneration: Kinetic Data and Their ImplicationsMatic Pavlin, Matej Repič, Robert Vianello, et al.
The Journal of Physical Chemistry. B|May 19, 2012
Virtually nonexistent correlation between the OH stretching frequency and the instantaneous geometry in the short hydrogen bond of sodium hydrogen bis(sulfate): advanced chemometrics analysisGordana Pirc, Janez Mavri, Marjana Novič, et al.
European Journal of Pharmacology|June 7, 2017
Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogsGabriel Oanca, Jernej Stare, Robert Vianello, et al.
Biophysical Journal|September 20, 2025
Spatiotemporal dynamics of local anesthetic diffusion in nerve revealed by a 2D computational modelVladimir Smrkolj, Jakob Kralj, Janez Mavri, et al.
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