Marek Štekláč

3CLpro and PLpro affinity, a docking study to fight COVID19 based on 900 compounds from PubChem and literature. Are there new drugs to be found?

Marek Štekláč, Dávid Zajaček, Lukáš Bučinský · Journal of Molecular Structure · 2021 · 22 citations · Full text

Molecular Docking, Docking Study, Pharmacology +6

Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus

Michal Jablonský, Marek Štekláč, Veronika Majová et al. · Biophysical Chemistry · 2022 · 19 citations · Full text

Softwood Bark Extraction, Virus Structure, Biochemistry +11

Cu(II) complexes of flavonoids in solution: Impact of the Cu(II) ion on the antioxidant and DNA-intercalating properties

Miriama Šimunková, Monika Biela, Marek Štekláč et al. · Journal of Molecular Liquids · 2022 · 19 citations

Dna-intercalating Properties, Biochemistry, Natural Sciences +5

Machine learning prediction of 3CL SARS-CoV-2 docking scores

Lukáš Bučinský, Dušan Bortňák, Marián Gall et al. · Computational Biology and Chemistry · 2022 · 17 citations · Full text

Engineering, Machine Learning, Data Science +6

DFT Studies of Substituted Phenols Cytotoxicity I. <i>Para</i> ‐substituted Phenols

Marek Štekláč, Martin Breza · ChemistrySelect · 2021 · 12 citations