Items where Author is "Stare, Jernej"

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

Novak, Urban; Golobič, Amalija; Klančnik, Natalija; Mohaček Grošev, Vlasta; Stare, Jernej; Grdadolnik, Jože (2022) Strong Hydrogen Bonds in Acetylenedicarboxylic Acid Dihydrate. International journal of molecular sciences, 23 (11). 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

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

Molčanov, Krešimir; Mali, Gregor; Grdadolnik, Jože; Stare, Jernej; Stilinović, Vladimir; Kojić-Prodić, Biserka (2018) Iodide∙∙∙π interactions of perhalogenated quinoid rings in co-crystals with organic bases. Crystal Growth and Design, 18 . pp. 5182-5193. ISSN 1528-7483

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

Molčanov, Krešimir; Stare, Jernej; Vener, Mikhail; Kojić-Prodić, Biserka; Mali, Gregor; Grdadolnik, Jože; Mohaček Grošev, Vlasta (2014) Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods. Physical Chemistry Chemical Physics, 16 (3). pp. 998-1007. ISSN 1463-9076

Mohaček Grošev, Vlasta; Grdadolnik, Jože; Stare, Jernej; Hadži, Dušan (2009) Identification of hydrogen bond modes in polarized Raman spectra of single crystals of alpha-oxalic acid dihydrate. Journal of Raman Spectroscopy, 40 (11). pp. 1605-1614. ISSN 0377-0486