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International Journal of Molecular Sciences|August 30, 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 StudyTana Tandarić, Alja Prah, Jernej Stare, et al.
The Journal of Physical Chemistry. B|August 27, 2020
How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive StepAlja Prah, Miha Purg, Jernej Stare, et al.
The Journal of Organic Chemistry|January 7, 2015
Tandem β-elimination/hetero-michael addition rearrangement of an N-alkylated pyridinium oxime to an O-alkylated pyridine oxime ether: an experimental and computational studyIgor Picek, Robert Vianello, Primož Šket, et al.
The Journal of Physical Chemistry. B|March 25, 2016
Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of DopamineJanez Mavri, Ricardo A Matute, Zhen T Chu, et al.
Molecules (Basel, Switzerland)|December 14, 2017
Nucleobase-Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNAŽeljka Ban, Biserka Žinić, Robert Vianello, et al.
Neurotoxicity Research|December 13, 2019
How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational StudyDomen Pregeljc, Diana Teodorescu-Perijoc, Robert Vianello, et al.
ACS Chemical Biology|May 31, 2017
Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosusIvana Leščić Ašler, Zoran Štefanić, Aleksandra Maršavelski, et al.
RSC Advances|January 30, 2026
Combined mass spectrometry and computational analysis of cyanine dyes and their structural analoguesIrena Đapić, Renata Kobetić, Atanas Kurutos, et al.
Bioorganic Chemistry|April 23, 2024
Biological activity and computational analysis of novel acrylonitrile derived benzazoles as potent antiproliferative agents for pancreatic adenocarcinoma with antioxidative propertiesAnja Beč, Leentje Persoons, Dirk Daelemans, et al.
Molecules (Basel, Switzerland)|June 13, 2025
A Detailed Thermodynamic Description of Ion Pair Binding by a Calix[4]arene Derivative Containing Urea and Amide FunctionalitiesMarija Cvetnić, Tamara Rinkovec, Robert Vianello, et al.
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