Publications

Showing records 1 - 20 (of 73)

Publication: Book Item (Buchkap., Lexikonartikel, jur. Kommentierung, Beiträge in Sammelbänden etc.)

ID	Author	Year	Title	Publisher
3723778	Pang, Lijuan; Bezençon, Jacqueline; Kleeb, Simon; Rabbani, Said; Sigl, Anja; Smiesko, Martin; Sager, Christoph P.; Eris, Deniz; Schwardt, Oliver; Ernst, Beat	2017	FimH antagonists - solubility vs. permeability	Royal Society of Chemistry

Publication: JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)

ID	Author	Year	Title	Publisher
2152094	Zierke, Mirko; Smiesko, Martin; Rabbani, Said; Aeschbacher, Thomas; Cutting, Brian; Allain, Frédéric H.-T.; Schubert, Mario; Ernst, Beat	2013	Stabilization of branched oligosaccharides : Lewisx benefits from a non-conventional C-H...O hydrogen bond	Journal of the American Chemical Society
1563263	Zaugg, Janine; Ebrahimi, Samad Nejad; Smiesko, Martin; Baburin, Igor; Hering, Steffen; Hamburger, Matthias	2011	Identification of GABAA receptor modulators in Kadsura longipedunculata and assignment of absolute configurations by quantum-chemical ECD calculations	Phytochemistry
4683907	Winker, Moritz; Chauveau, Antoine; Smieško, Martin; Potterat, Olivier; Areesanan, Alexander; Zimmermann-Klemd, Amy; Gründemann, Carsten	2023	Immunological evaluation of herbal extracts commonly used for treatment of mental diseases during pregnancy	Scientific Reports
4500689	Wahl, Joel; Smiesko, Martin	2019	Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules	Journal of chemical information and modeling
4479436	Wahl, Joel; Smieško, Martin	2018	Thermodynamic Insight into Effects of Water Displacement and Rearrangement upon Ligand Modification using Molecular Dynamics Simulations	ChemMedChem
4493414	Wahl, Joel; Smieško, Martin	2018	Endocrine Disruption at the Androgen Receptor: Employing Molecular Dynamics and Docking for Improved Virtual Screening and Toxicity Prediction	International journal of molecular sciences
1555244	Vedani, Angelo; Dobler, Max; Smieško, Martin	2012	VirtualToxLab - a platform for estimating the toxic potential of drugs, chemicals and natural products	Toxicology and applied pharmacology
2801158	Vedani, Angelo; Dobler, Max; Hu, Zhenquan; Smieško, Martin	2015	OpenVirtualToxLab - a platform for generating and exchanging in silico toxicity data	Toxicology letters
160493	Titz, Alexander; Patton, John; Smiesko, Martin; Radic, Zorana; Schwardt, Oliver; Magnani, John L.; Ernst, Beat	2010	Probing the Carbohydrate Recognition Domain of E-Selectin : The Importance of the Acid Orientation in sLex Mimetics	Bioorganic & Medicinal Chemistry
1534912	Titz, Alexander; Marra, Alberto; Cutting, Brian; Smiesko, Martin; Papandreou, George; Dondoni, Alessandro; Ernst, Beat	2012	Conformational constraints : nature does it best with Sialyl Lewisx	European Journal of Organic Chemistry
427709	Spreafico, Morena; Smiesko, Martin; Peristera, Ourania; Rossato, Gianluca; Vedani, Angelo	2010	Probing small-molecule binding to the liver-X receptor : a mixed-model QSAR study	Molecular informatics
160440	Spreafico, Morena; Ernst, Beat; Lill, Markus A.; Smiesko, Martin; Vedani, Angelo	2009	Mixed-Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs	ChemMedChem
3697887	Smieško, Martin; Vedani, Angelo	2016	VirtualToxLab: Exploring the Toxic Potential of Rejuvenating Substances Found in Traditional Medicines	Methods in Molecular Biology
4493418	Smieško, Martin; Don, Charleen G.; Meuwly, Roger; Kucsera, Stefan; Brüschweiler, Beat J.	2018	Large-scale in silico screening of compounds contained in printing inks for food packaging materials	Toxicology Letters
2557786	Smieško, Martin	2013	DOLINA - Docking Based on a Local Induced-Fit Algorithm : Application toward Small-Molecule Binding to Nuclear Receptors	Journal of chemical information and modeling
4634528	Sellner, Manuel; Fischer, Andre; Don, Charleen G.; Smieško, Martin	2021	Conformational Landscape of Cytochrome P450 Reductase Interactions	International journal of molecular sciences
4498507	Schönemann, Wojciech; Cramer, Jonathan; Mühlethaler, Tobias; Fiege, Brigitte; Silbermann, Marleen; Rabbani, Said; Dätwyler, Philipp; Zihlmann, Pascal; Jakob, Roman P.; Sager, Christoph P.; Smiesko, Martin; Schwardt, Oliver; Maier, Timm; Ernst, Beat	2019	Improvement of Aglycone π-Stacking Yields Nano- to Subnanomolar FimH Antagonists	ChemMedChem
1534723	Schwizer, Daniel; Patton, John T.; Cutting, Brian; Smiesko, Martin; Wagner, Beatrice; Kato, Ako; Weckerle, Céline; Binder, Florian P. C.; Rabbani, Said; Schwardt, Oliver; Magnani, John L.; Ernst, Beat	2012	Pre-organization of the core structure of E-selectin antagonists	Chemistry - A European Journal
765883	Schwardt, Oliver; Rabbani, Said; Hartmann, Margrit; Abgottspon, Daniela; Wittwer, Matthias; Kleeb, Simon; Zalewski, Adam; Smiesko, Martin; Cutting, Brian; Ernst, Beat	2011	Design, Synthesis and Biological Evaluation of Mannosyl Triazoles as FimH Antagonists	Bioorganic & Medicinal Chemistry

Showing records 1 - 20 (of 73)