Martin Smieško
Cited by
Cited by
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
The system can't perform the operation now. Try again later.
Articles 1–20