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Journal of Molecular Structure|July 5, 2021
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 BučinskýJournal of Chemical Information and Modeling|February 26, 2024
Compromise in Docking Power of Liganded Crystal Structures of Mpro SARS-CoV-2 Surpasses 90% Success RateDávid Zajaček, Adriána Dunárová, Lukas Bucinsky, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2026
Integrated computational protocol for sampling molecular databases towards allosteric inhibition of SARS-CoV-2 spike activationVanda Boršová, Dávid Zajaček, Lukas Bucinsky, et al.Computational Biology and Chemistry|March 15, 2022
Machine learning prediction of 3CLpro SARS-CoV-2 docking scoresLukas Bucinsky, Dušan Bortňák, Marián Gall, et al.Pageof 1