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1. Using virtual AChE homology screening to identify small molecules with the ability to inhibit marine biofouling Homayon John Arabshahi, Tomaž Trobec, Valentin Foulon, Claire Hellio, Robert Frangež, Kristina Sepčić, Patrick Cahill, Johan Svenson, 2021, original scientific article Keywords: homology screening, in silico screening, in vitro enzymatic studies, cholinesterase, AChE inhibitor, antifouling |
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 |