Items where Author is "Mavri, Janez"

Article

Hok, Lucija; Rimac, Hrvoje; Mavri, Janez; Vianello, Robert (2022) COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes. Computational and Structural Biotechnology Journal, 20 . pp. 1254-1263. ISSN 2001-0370

Maršavelski, Aleksandra; Mavri, Janez; Vianello, Robert; Stare, Jernej (2022) Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step. International journal of molecular sciences, 23 (3). ISSN 1422-0067

Tandarić, Tana; Prah, Alja; Stare, Jernej; Mavri, Janez; Vianello, Robert (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 Study. International journal of molecular sciences, 21 (17). ISSN 1422-0067

Kržan, Mojca; Keuschler, Jan; Mavri, Janez; Vianello, Robert (2020) Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration. Biomolecules, 10 (2). ISSN 2218-273X

Hok, Lucija; Mavri, Janez; Vianello, Robert (2020) The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions. Molecules, 25 (24). ISSN 1420-3049

Prah, Alja; Purg, Miha; Stare, Jernej; Vianello, Robert; Mavri, Janez (2020) How monoamine oxidase a decomposes serotonin: an empirical valence bond simulation of the reactive step. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 124 (38). pp. 8259-8265. ISSN 1520-6106

Vianello, Robert; Domene, Carmen; Mavri, Janez (2016) The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes. Frontiers in Neuroscience, 10 . 327_1-327_24. ISSN 1662-453X

Pirc, Gordana; Stare, Jernej; Mavri, Janez; Vianello, Robert (2014) Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: How Geometric Parameters Influence the Hydrogen Bond Strength. Croatica chemica acta, 87 (4). pp. 397-405. ISSN 0011-1643