Domen Pregeljc

How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study

Domen Pregeljc, Diana Teodorescu-Perijoc, Robert Vianello et al. · Neurotoxicity Research · 2019 · 31 citations

Psychoactive Drug, Addiction, Parkinson Disease +11

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

Domen Pregeljc, Urška Jug, Janez Mavri et al. · Physical Chemistry Chemical Physics · 2018 · 19 citations · Full text

Elementary S N 2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation

Urška Jug, Domen Pregeljc, Janez Mavri et al. · Computational and Theoretical Chemistry · 2017 · 12 citations

Halogenation, Chemical Engineering, Engineering +8

Local Anesthetics Transfer Across the Membrane: Reproducing Octanol-Water Partition Coefficients by Solvent Reaction Field Methods

Hana Kavčič, Nejc Umek, Domen Pregeljc et al. · Acta chimica slovenica · 2021 · 10 citations · Full text

Micro-pharmacokinetics of lidocaine and bupivacaine transfer across a myelinated nerve fiber

Vladimir Smrkolj, Domen Pregeljc, Hana Kavčič et al. · Computers in Biology and Medicine · 2023 · 10 citations