Search Results - "Štekláč, Marek" :: K.UTB vyhledávací portál

by Matúška, Ján, Bucinsky, Lukas, Gall, Marián, Pitoňák, Michal, Štekláč, Marek
Published in The journal of physical chemistry. B (23.05.2024)

Get full text

Journal Article

Loading…

DFT Studies of Substituted Phenols Cytotoxicity I. Para‐substituted Phenols

by Štekláč, Marek, Breza, Martin
Published in ChemistrySelect (Weinheim) (27.07.2021)

Get full text

Journal Article

Loading…

DFT studies of camptothecins cytotoxicity IV — active and inactive forms of irinotecan

by Štekláč, Marek, Breza, Martin
Published in Acta Chimica Slovaca (01.01.2023)

Get full text

Journal Article

Loading…

Advances and critical assessment of machine learning techniques for prediction of docking scores

by Bucinsky, Lukas, Gall, Marián, Matúška, Ján, Pitoňák, Michal, Štekláč, Marek
Published in International journal of quantum chemistry (15.12.2023)

Get full text

Journal Article

Loading…

DFT studies of camptothecins cytotoxicity III: camptothecin, irinotecan and SN-38

by Štekláč, Marek, Breza, Martin
Published in Acta Chimica Slovaca (01.01.2022)

Get full text

Journal Article

Loading…

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

by Šimunková, Miriama, Biela, Monika, Štekláč, Marek, Hlinčík, Andrej, Klein, Erik, Malček, Michal
Published in Journal of molecular liquids (01.08.2022)

Get full text

Journal Article

Loading…

Spectroscopic, computational and molecular docking study of Cu() complexes with flavonoids: from cupric ion binding to DNA intercalation

by Šimunková, Miriama, Šteklá, Marek, Mal ek, Michal
Published in New journal of chemistry (28.06.2021)

Get full text

Journal Article

Loading…

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

by Jablonský, Michal, Štekláč, Marek, Majová, Veronika, Gall, Marián, Matúška, Ján, Pitoňák, Michal, Bučinský, Lukáš
Published in Biophysical chemistry (01.09.2022)

Get full text

Journal Article

Loading…

The effect of Cu(II) ion on antioxidant and DNA‐binding mechanism of baicalein and scutellarein: Spectroscopic, theoretical, and molecular docking study

by Malček Šimunková, Miriama, Štekláč, Marek, Raptová, Renáta, Gajdoš, Peter, Čertík, Milan, Malček, Michal
Published in Applied organometallic chemistry (01.04.2024)

Get full text

Journal Article

Loading…

Quantum-chemical study of the active sites of camptothecin through their Cu(II) coordination ability

by Štekláč, Marek, Breza, Martin
Published in Acta Chimica Slovaca (01.04.2018)

Get full text

Journal Article

Loading…

Compromise in Docking Power of Liganded Crystal Structures of M pro SARS-CoV-2 Surpasses 90% Success Rate

by Zajaček, Dávid, Dunárová, Adriána, Bucinsky, Lukas, Štekláč, Marek
Published in Journal of chemical information and modeling (11.03.2024)

Get full text

Journal Article

Loading…

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?

by Štekláč, Marek, Zajaček, Dávid, Bučinský, Lukáš
Published in Journal of molecular structure (05.12.2021)

Get full text

Journal Article

Loading…

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

by Štekláč, Marek, Zajaček, Dávid, Bučinský, Lukáš
Published in Journal of molecular structure (05.12.2021)

Get full text

Journal Article

Loading…

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

by Bucinsky, Lukas, Bortňák, Dušan, Gall, Marián, Matúška, Ján, Milata, Viktor, Pitoňák, Michal, Štekláč, Marek, Végh, Daniel, Zajaček, Dávid
Published in Computational biology and chemistry (01.06.2022)

Get full text

Journal Article

Refine Results

Format

Subject Area

Topic

Language

Year of Publication

Database