Jernej Stare

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Crystal Structure

Top Venues

Physical chemistry chemical physics : PCCP

International journal of molecular sciences

Inorganic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Jernej Stare, Jože Grdadolnik, Sax Mason, Alberto Albinati, Juergen Eckert
4-Methoxypicolinic Acid N -Oxide: One of the Shortest Hydrogen Bonds Known Characterized by Neutron Diffraction, Inelastic Neutron Scattering, Infrared Spectroscopy, and Periodic DFT Calculations. ACS omega 9 (36) (2024)
Jernej Stare
Oxidation of Flavin by Molecular Oxygen: Computational Insights into a Possible Radical Mechanism. ACS omega 9 (22) (2024)
Jernej Stare
Oxidation of Flavin by Molecular Oxygen: Computational Insights into a Possible Radical Mechanism. ACS omega 9 (22) (2024)
Maja Reberc, Matjaž Mazaj, Jernej Stare, Marta Počkaj, Gregor Mali, Xiao Li, Yaroslav Filinchuk, Radovan Černý, Anton Meden
Trinuclear Magnesium Imidazolate Borohydride Complex. Inorganic chemistry 61 (32) (2022)
Urban Novak, Amalija Golobič, Natalija Klančnik, Vlasta Mohaček-Grošev, Jernej Stare, Jože Grdadolnik
Strong Hydrogen Bonds in Acetylenedicarboxylic Acid Dihydrate. International journal of molecular sciences 23 (11) (2022)
Aleksandra Maršavelski, Janez Mavri, Robert Vianelo, Jernej Stare
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) (2022)
Alja Prah, Janez Mavri, Jernej Stare
An electrostatic duel: subtle differences in the catalytic performance of monoamine oxidase A and B isoenzymes elucidated at the residue level using quantum computations. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Alja Prah, Peter Ogrin, Janez Mavri, Jernej Stare
Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A. Physical chemistry chemical physics : PCCP 22 (13) (2020)
Alja Prah, Miha Purg, Jernej Stare, Robert Vianelo, Janez Mavri
How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step. The journal of physical chemistry. B 124 (38) (2020)
Jernej Stare, Anton Gradišek, Janez Seliger
Nuclear quadrupole resonance supported by periodic quantum calculations: a sensitive tool for precise structural characterization of short hydrogen bonds. Physical chemistry chemical physics : PCCP (2020)
Denis A Rychkov, Jernej Stare, Elena V Boldyreva
Pressure-driven phase transition mechanisms revealed by quantum chemistry: l-serine polymorphs. Physical chemistry chemical physics : PCCP 19 (9) (2018)
Gabriel Oanca, Jernej Stare, Janez Mavri
How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation. Proteins 85 (12) (2017)