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Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction.
Sci Rep. 2022 Dec 19;12(1):21889. doi: 10.1038/s41598-022-26296-7.
Sci Rep. 2022.
PMID: 36536002
Free PMC article.
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.
Pregeljc D , Jug U , Mavri J , Stare J .
Pregeljc D , et al.
Phys Chem Chem Phys. 2018 Feb 7;20(6):4181-4188. doi: 10.1039/c7cp07069a.
Phys Chem Chem Phys. 2018.
PMID: 29360121
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How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study.
Pregeljc D, Teodorescu-Perijoc D, Vianello R, Umek N, Mavri J.
Pregeljc D, et al.
Neurotox Res. 2020 Mar;37(3):724-731. doi: 10.1007/s12640-019-00149-0. Epub 2019 Dec 11.
Neurotox Res. 2020.
PMID: 31828739
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Local Anesthetics Transfer Across the Membrane: Reproducing Octanol-Water Partition Coefficients by Solvent Reaction Field Methods.
Kavcic H, Umek N, Pregeljc D, Vintar N, Mavri J.
Kavcic H, et al. Among authors: pregeljc d.
Acta Chim Slov. 2021 Jun;68(2):426-432.
Acta Chim Slov. 2021.
PMID: 34738123
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Micro-pharmacokinetics of lidocaine and bupivacaine transfer across a myelinated nerve fiber.
Smrkolj V, Pregeljc D, Kavčič H, Umek N, Mavri J.
Smrkolj V, et al. Among authors: pregeljc d.
Comput Biol Med. 2023 Oct;165:107375. doi: 10.1016/j.compbiomed.2023.107375. Epub 2023 Aug 18.
Comput Biol Med. 2023.
PMID: 37611421
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Increasing yield of in vitro transcription reaction with at-line high pressure liquid chromatography monitoring.
Pregeljc D, Skok J, Vodopivec T, Mencin N, Krušič A, Ličen J, Nemec KŠ, Štrancar A, Sekirnik R.
Pregeljc D, et al.
Biotechnol Bioeng. 2023 Mar;120(3):737-747. doi: 10.1002/bit.28299. Epub 2022 Dec 15.
Biotechnol Bioeng. 2023.
PMID: 36471904
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