1. |
PREGELJC, Domen, JUG, Urška, MAVRI, Janez, STARE, Jernej. Why does the Y326I mutant of monoamine oxidase B decompose an endogenous amphetamine at a slower rate than the wild type enzyme? Reaction step elucidated by multiscale molecular simulations. PCCP. Physical chemistry chemical physics: a journal of European chemical societies, ISSN 1463-9076, Feb. 2018, vol. 20, iss. 6, str. 4181-4188
|
2. |
JUG, Urška, PREGELJC, Domen, MAVRI, Janez, VIANELLO, Robert, STARE, Jernej. Elementary SN2SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation. Computational and theoretical chemistry, ISSN 2210-271X, 15 Sep. 2017, vol. 1116, str. 96-101
|
3. |
OANCA, Gabriel, STARE, Jernej, VIANELLO, Robert, MAVRI, Janez. Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs. European Journal of Pharmacology, ISSN 0014-2999. [Print ed.], Dec. 2017, vol. 817, str. 46-50
|
4. |
OANCA, Gabriel, STARE, Jernej, MAVRI, Janez. How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation. Proteins, ISSN 0887-3585. [Print ed.], Dec. 2017, vol. 85, iss. 12, str. 2170-2178
|
5. |
KISOVEC, Matic, REZELJ, Saša, KNAP, Primož, CAJNKO, Miša Mojca, CASERMAN, Simon, FLAŠKER, Ajda, ŽNIDARŠIČ, Nada, REPIČ, Matej, MAVRI, Janez, RUAN, Yi, SCHEURING, Simon, PODOBNIK, Marjetka, ANDERLUH, Gregor. Engineering a pH responsive pore forming protein. Scientific reports, ISSN 2045-2322, Feb. 2017, vol. 7, str. 42231-1-42231-13
|