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1. 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 |
2. A set of experimentally validated decoys for the human CC chemokine receptor 7 (CCR7) obtained by virtual screening Matic Proj, Steven De Jonghe, Tom Van Loy, Marko Jukič, Anže Meden, Luka Ciber, Črtomir Podlipnik, Uroš Grošelj, Janez Konc, Dominique Schols, Stanislav Gobec, 2022, original scientific article Keywords: virtual screening, decoys, chemical library, computer-aided drug design, CCR7, GPCR |