List of works - Juraj Kóňa

'Click chemistry' synthesis of 1-(α-D-mannopyranosyl)-1,2,3-triazoles for inhibition of α-mannosidases.

scientific article published on 19 January 2015

A Comparison of the Antibacterial Efficacy of Carbohydrate Lipid-like (Thio)Ether, Sulfone, and Ester Derivatives against Paenibacillus larvae

scientific article published in 2023

A combined molecular dynamics simulation and quantum chemical study on the mechanism for activation of the OxyR transcription factor by hydrogen peroxide

scientific article published on 08 August 2006

A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: the impact of different metal ions on catalysis

scientific article published on 01 June 2014

How inverting β-1,4-galactosyltransferase-1 can quench a high charge of the by-product UDP3- in catalysis: a QM/MM study of enzymatic reaction with native and UDP-5' thio galactose substrates

scientific article published on 18 September 2020

Hybrid QM/MM Calculations on the First Redox Step of the Catalytic Cycle of Bovine Glutathione Peroxidase GPX1

scientific article published on 29 June 2011

In silico analysis of interaction pattern switching in ligandreceptor binding in Golgi α-mannosidase II induced by the protonated states of inhibitors

scientific article published on 4 May 2017

N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi α-Mannosidase II.

scientific article published on 11 January 2018

Nucleophilic substitution by a hydroxide ion at a vinylic carbon: ab initio and density functional theory studies on methoxyethene, 3-methoxypropenal, 2,3-dihydro-4H-pyran-4-one, and 4H-pyran-4-one.

scientific article published in July 2001

PEGylated nanoparticles bind to and alter amyloid-beta peptide conformation: toward engineering of functional nanomedicines for Alzheimer's disease

scientific article published on 19 June 2012

Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations.

scientific article published on May 2010

Theoretical prediction of pKa values of seleninic, selenenic, sulfinic, and carboxylic acids by quantum-chemical methods.

scientific article published on 5 November 2010

Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme

scientific article published on 18 August 2014

Theoretical study on the mechanism of a ring-opening reaction of oxirane by the active-site aspartic dyad of HIV-1 protease.

scientific article published on 6 December 2007

Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.

scientific article

α-D-mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II.