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?

por Štekláč, Marek, Zajaček, Dávid, Bučinský, Lukáš
Publicado 2021

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

por Jablonský, Michal, Štekláč, Marek, Majová, Veronika, Gall, Marián, Matúška, Ján, Pitoňák, Michal, Bučinský, Lukáš
Publicado 2022

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

por Bucinsky, Lukas, Bortňák, Dušan, Gall, Marián, Matúška, Ján, Milata, Viktor, Pitoňák, Michal, Štekláč, Marek, Végh, Daniel, Zajaček, Dávid
Publicado 2022