1. Discovery of substituted oxadiazoles as a novel scaffold for DNA gyrase inhibitorsŽiga Jakopin, Janez Ilaš, Michaela Barančokova, Matjaž Brvar, Päivi Tammela, Marija Sollner Dolenc, Tihomir Tomašič, Danijel Kikelj, 2017, original scientific article Keywords: 1, 2, 4-oxadiazoles, DNA gyrase inhibition, topoisomerase IV inhibition, antibacterial screening, computer-aided drug design Full text (file, 1,45 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. Cell models for Alzheimer’s and Parkinson’s diseaseSandra Cetin, Damijan Knez, Stanislav Gobec, Janko Kos, Anja Pišlar, 2022, review article Keywords: neurodegenerative diseases, cell models, cytotoxicity assays, drug discovery, drug screening Full text (file, 1,65 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... |
7. Small-Molecule Galectin Ligands: Structure-Based Optimisation of Affinity and SelectivitySjors Van Klaveren, 2024, doctoral dissertation Keywords: Galectins, ligands, inhibitors, drug discovery, molecular dynamics simulations, virtual screening, docking studies, structure-activity relationship, X-ray crystallography. Full text (file, 20,83 MB) |
8. 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... |