1. VR as a 3D modelling tool in engineering design applicationsDaria Vlah, Vanja Čok, Uroš Urbas, 2021, original scientific article Keywords: virtual reality, engineering design, CAD modelling, surface modelling, product development Full text (file, 2,45 MB) This document has more files! More... |
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. Methodology for efficient parametrisation of electrochemical PEMFC model for virtual observersAndraž Kravos, Daniel Ritzberger, Christoph Hametner, Stefan Jakubek, Tomaž Katrašnik, 2021, original scientific article Keywords: PEM fuel cells, electrochemical PEM FC performance model, model-based design of experiments, reduced dimensionality models, parameter sensitivity, virtual observers Full text (file, 1,60 MB) This document has more files! More... |
4. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doctoral dissertation Keywords: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability. Full text (file, 20,68 MB) |
5. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doctoral dissertation Keywords: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational, modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability Full text (file, 20,68 MB) |
6. 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... |