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2. Prioritisation of compounds for 3CL$^{pro}$ inhibitor development on SARS-CoV-2 variantsMarko 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 Full text (file, 6,56 MB) This document has more files! More... |
3. Screening of big pharma’s library against various in-house biological targetsDamijan Knez, Stanislav Gobec, Martina Hrast, 2022, original scientific article Keywords: Merck Mini Library, screening, MurA, MurC, human MAO-A/B, human BChE, murine AchE Full text (file, 8,55 MB) This document has more files! More... |
4. DNA-encoded library screening on two validated enzymes of the peptidoglycan biosynthetic pathwayMatic Proj, Krištof Bozovičar, Martina Hrast, Rok Frlan, Stanislav Gobec, 2022, original scientific article Keywords: antibacterial agents, DNA-encoded library, screening, inhibitors Full text (file, 1,04 MB) This document has more files! More... |
5. A set of experimentally validated decoys for the human CC chemokine receptor 7 (CCR7) obtained by virtual screeningMatic 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 Full text (file, 2,30 MB) This document has more files! More... |
6. Biolayer interferometry and its applications in drug discovery and developmentAna Jug, Tomaž Bratkovič, Janez Ilaš, 2024, review article Keywords: biosensor, drug discovery, library screening, label-free analysis, kinetics, affinity, biopharmaceutical development Full text (file, 1,22 MB) This document has more files! More... |