| FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation T Klein, D Abgottspon, M Wittwer, S Rabbani, J Herold, X Jiang, S Kleeb, ... Journal of medicinal chemistry 53 (24), 8627-8641, 2010 | 189 | 2010 |
| VirtualToxLab—a platform for estimating the toxic potential of drugs, chemicals and natural products A Vedani, M Dobler, M Smieško Toxicology and applied pharmacology 261 (2), 142-153, 2012 | 81 | 2012 |
| Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists O Schwardt, S Rabbani, M Hartmann, D Abgottspon, M Wittwer, S Kleeb, ... Bioorganic & medicinal chemistry 19 (21), 6454-6473, 2011 | 79 | 2011 |
| FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile S Kleeb, L Pang, K Mayer, D Eris, A Sigl, RC Preston, P Zihlmann, ... American Chemical Society, 2015 | 66 | 2015 |
| pKa determination by 1H NMR spectroscopy–An old methodology revisited J Bezençon, MB Wittwer, B Cutting, M Smieško, B Wagner, M Kansy, ... Journal of Pharmaceutical and Biomedical Analysis 93, 147-155, 2014 | 61 | 2014 |
| AcquaAlta: a directional approach to the solvation of ligand–protein complexes G Rossato, B Ernst, A Vedani, M Smiesko Journal of chemical information and modeling 51 (8), 1867-1881, 2011 | 61 | 2011 |
| Stabilization of Branched Oligosaccharides: Lewisx Benefits from a Nonconventional C–H···O Hydrogen Bond M Zierke, M Smiesko, S Rabbani, T Aeschbacher, B Cutting, FHT Allain, ... Journal of the American Chemical Society 135 (36), 13464-13472, 2013 | 60 | 2013 |
| OpenVirtualToxLab—a platform for generating and exchanging in silico toxicity data A Vedani, M Dobler, Z Hu, M Smieško Toxicology letters 232 (2), 519-532, 2015 | 55 | 2015 |
| Abietane diterpenoids from Salvia sahendica–antiprotozoal activity and determination of their absolute configurations SN Ebrahimi, S Zimmermann, J Zaugg, M Smiesko, R Brun, M Hamburger Planta medica 29 (02), 150-156, 2013 | 54 | 2013 |
| In Silico Toxicology in Drug Discovery — Concepts Based on Three-dimensional Models A Vedani, M Smiesko Alternatives to Laboratory Animals 37 (5), 477-496, 2009 | 48 | 2009 |
| QSAR model for predicting pesticide aquatic toxicity P Mazzatorta, M Smiesko, E Lo Piparo, E Benfenati Journal of chemical information and modeling 45 (6), 1767-1774, 2005 | 48 | 2005 |
| Pre‐organization of the Core Structure of E‐Selectin Antagonists D Schwizer, JT Patton, B Cutting, M Smieško, B Wagner, A Kato, ... Chemistry–A European Journal 18 (5), 1342-1351, 2012 | 39 | 2012 |
| VirtualToxLab™-In silico prediction of the toxic (endocrine-disrupting) potential of drugs, chemicals and natural products. Two years and 2,000 compounds of experience: a … A Vedani, M Smiesko, M Spreafico, O Peristera, M Dobler ALTEX-Alternatives to animal experimentation 26 (3), 167-176, 2009 | 39 | 2009 |
| Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds A Fischer, M Sellner, S Neranjan, M Smieško, MA Lill International Journal of Molecular Sciences 21 (10), 3626, 2020 | 34 | 2020 |
| Development of an aggregation assay to screen FimH antagonists D Abgottspon, G Rölli, L Hosch, A Steinhuber, X Jiang, O Schwardt, ... Journal of microbiological methods 82 (3), 249-255, 2010 | 34 | 2010 |
| Probing small‐molecule binding to cytochrome P450 2D6 and 2C9: An in silico protocol for generating toxicity alerts G Rossato, B Ernst, M Smiesko, M Spreafico, A Vedani ChemMedChem 5 (12), 2088-2101, 2010 | 33 | 2010 |
| Predictive models for aquatic toxicity of aldehydes designed for various model chemistries M Smiesko, E Benfenati Journal of chemical information and computer sciences 44 (3), 976-984, 2004 | 27 | 2004 |
| Identification of GABA A receptor modulators in Kadsura longipedunculata and assignment of absolute configurations by quantum-chemical ECD calculations J Zaugg, SN Ebrahimi, M Smiesko, I Baburin, S Hering, M Hamburger Phytochemistry 72 (18), 2385-2395, 2011 | 26 | 2011 |
| VirtualToxLab~ in silica prediction of the toxic potential of drugs and environmental chemicals: evaluation status and Internet access protocol A Vedani, M Dobler, M Spreafico, O Peristera, M Smiesko ALTEX-Alternatives to animal experimentation 24 (3), 153-161, 2007 | 26 | 2007 |
| Probing the carbohydrate recognition domain of E-selectin: The importance of the acid orientation in sLex mimetics A Titz, J Patton, M Smiesko, Z Radic, O Schwardt, JL Magnani, B Ernst Bioorganic & medicinal chemistry 18 (1), 19-27, 2010 | 25 | 2010 |
