| LiSiCA: a software for ligand-based virtual screening and its application for the discovery of butyrylcholinesterase inhibitors S Lešnik, T Štular, B Brus, D Knez, S Gobec, D Janezic, J Konc Journal of chemical information and modeling 55 (8), 1521-1528, 2015 | 87 | 2015 |
| ProBiS-CHARMMing: web interface for prediction and optimization of ligands in protein binding sites J Konc, BT Miller, T Štular, S Lesnik, HL Woodcock, BR Brooks, ... Journal of chemical information and modeling 55 (11), 2308-2314, 2015 | 73 | 2015 |
| Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects S Lešnik, V Furlan, U Bren Phytochemistry Reviews 20 (6), 1273-1328, 2021 | 66 | 2021 |
| Nonpeptidic selective inhibitors of the chymotrypsin‐like (β5 i) subunit of the immunoproteasome I Sosič, M Gobec, B Brus, D Knez, M Živec, J Konc, S Lešnik, M Ogrizek, ... Angewandte Chemie International Edition 55 (19), 5745-5748, 2016 | 57 | 2016 |
| Discovery of novel potential human targets of resveratrol by inverse molecular docking K Kores, S Lesnik, U Bren, D Janezic, J Konc Journal of Chemical Information and Modeling 59 (5), 2467-2478, 2019 | 49 | 2019 |
| Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and B D Knez, N Colettis, LG Iacovino, M Sova, A Pišlar, J Konc, S Lešnik, ... Journal of medicinal chemistry 63 (3), 1361-1387, 2020 | 42 | 2020 |
| Protein-water hydrogen-bond networks of G protein-coupled receptors: Graph-based analyses of static structures and molecular dynamics É Bertalan, S Lešnik, U Bren, AN Bondar Journal of Structural Biology 212 (3), 107634, 2020 | 41 | 2020 |
| Modeling enzyme-ligand binding in drug discovery J Konc, S Lešnik, D Janežič Journal of Cheminformatics 7, 1-8, 2015 | 36 | 2015 |
| Discovery of new MurA inhibitors using induced-fit simulation and docking K Rožman, S Lešnik, B Brus, M Hrast, M Sova, D Patin, H Barreteau, ... Bioorganic & Medicinal Chemistry Letters 27 (4), 944-949, 2017 | 34 | 2017 |
| Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction T Štular, S Lešnik, K Rožman, J Schink, M Zdouc, A Ghysels, F Liu, ... Journal of medicinal chemistry 59 (24), 11069-11078, 2016 | 33 | 2016 |
| Molecular dynamics to enhance structure-based virtual screening on cathepsin B M Ogrizek, S Turk, S Lešnik, I Sosič, M Hodošček, B Mirković, J Kos, ... Journal of computer-aided molecular design 29, 707-712, 2015 | 25 | 2015 |
| ProBiS-Dock Database: a web server and interactive web repository of small ligand–protein binding sites for drug design J Konc, S Lesnik, B Skrlj, D Janezic Journal of chemical information and modeling 61 (8), 4097-4107, 2021 | 23 | 2021 |
| Mechanistic insights into biological activities of polyphenolic compounds from rosemary obtained by inverse molecular docking S Lešnik, U Bren Foods 11 (1), 67, 2021 | 22 | 2021 |
| Selective Toll-like receptor 7 agonists with novel chromeno [3, 4-d] imidazol-4 (1H)-one and 2-(trifluoromethyl) quinoline/quinazoline-4-amine scaffolds A Dolšak, U Švajger, S Lešnik, J Konc, S Gobec, M Sova European Journal of Medicinal Chemistry 179, 109-122, 2019 | 22 | 2019 |
| Chemically inducible split protein regulators for mammalian cells E Rihtar, T Lebar, D Lainšček, K Kores, S Lešnik, U Bren, R Jerala Nature Chemical Biology 19 (1), 64-71, 2023 | 17 | 2023 |
| BoBER: web interface to the base of bioisosterically exchangeable replacements S Lešnik, B Škrlj, N Eržen, U Bren, S Gobec, J Konc, D Janežič Journal of Cheminformatics 9, 1-8, 2017 | 15 | 2017 |
| Opioid receptors and protonation-coupled binding of opioid drugs S Lešnik, É Bertalan, U Bren, AN Bondar International journal of molecular sciences 22 (24), 13353, 2021 | 14 | 2021 |
| Potential energy function for fentanyl-based opioid pain killers S Lesnik, M Hodoscek, U Bren, C Stein, AN Bondar Journal of Chemical Information and Modeling 60 (7), 3566-3576, 2020 | 14 | 2020 |
| CHARMM force-field parameters for morphine, heroin, and oliceridine, and conformational dynamics of opioid drugs T Giannos, S Lesnik, U Bren, M Hodoscek, T Domratcheva, AN Bondar Journal of Chemical Information and Modeling 61 (8), 3964-3977, 2021 | 13 | 2021 |
| Ligand-based virtual screening interface between PyMOL and LiSiCA A Dilip, S Lešnik, T Štular, D Janežič, J Konc Journal of Cheminformatics 8, 1-5, 2016 | 13 | 2016 |
