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1. Inhibition of the SARS-CoV-2 3CL$^{pro}$ main protease by plant polyphenols Miha Bahun, Marko Jukič, Domen Oblak, Luka Kranjc, Gregor Bajc, Matej Butala, Krištof Bozovičar, Tomaž Bratkovič, Črtomir Podlipnik, Nataša Poklar Ulrih, 2022, original scientific article Keywords: edible plants, polyphenols, COVID-19, SARS-CoV-2, 3CL$^{pro}$, protease inhibitor |
2. Prioritisation of compounds for 3CL$^{pro}$ inhibitor development on SARS-CoV-2 variants Marko Jukič, Blaž Škrlj, Gašper Tomšič, Sebastian Pleško, Črtomir Podlipnik, Urban Bren, 2021, original scientific article Keywords: COVID-19, SARS-CoV-2, free-energy calculations, in silico drug design, virtual screening, inhibitors, 3C-like protease, M$^{pro}$, 3CL$^{pro}$, high-throughput, chemical library design, machine learning, compound prioritisation |