Publications
Showing records 1 - 20 (of 21)
Publication: JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)
ID
Author
Year
Title
Publisher
3500013 Hu, Zhenquan; Wahl, Joël; Hamburger, Matthias; Vedani, Angelo
2016
Molecular mechanisms of endocrine and metabolic disruption: An in silico study on antitrypanosomal natural products and some derivatives
Toxicology Letters
2801158 Vedani, Angelo; Dobler, Max; Hu, Zhenquan; Smieško, Martin
2015
OpenVirtualToxLab - a platform for generating and exchanging in silico toxicity data
Toxicology letters
2801161 Eid, Sameh; Saleh, Noureldin; Zalewski, Adam; Vedani, Angelo
2014
Exploring the free-energy landscape of carbohydrate-protein complexes : development and validation of scoring functions considering the binding-site topology
Journal of computer-aided molecular design
2250671 Biedermann, Sandra; Zurfluh, Michael; Grob, Koni; Vedani, Angelo; Brüschweiler, Beat J
2013
Migration of cyclo-diBA from coatings into canned food : method of analysis, concentration determined in a survey and in silico hazard profiling
Food and chemical toxicology
1555243 Eid, Sameh; Zalewski, Adam; Smiesko, Martin; Ernst, Beat; Vedani, Angelo
2013
A molecular-modeling toolbox aimed at bridging the gap between medicinal chemistry and computational sciences
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
981870 Rossato, G.; Ernst, Beat; Vedani, Angelo; Smiesko, Martin
2011
AcquaAlta: a directional approach to the solvation of ligand-protein complexes
Journal of Chemical Information and Modeling
427694 Schwardt, Oliver; Koliwer-Brandl, Hendrik; Zimmerli, Raphael; Mesch, Stefanie; Rossato, Gianluca; Spreafico, Morena; Vedani, Angelo; Kelm, Sorge; Ernst, Beat
2010
Design, synthesis, biological evaluation and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein
Bioorganic & Medicinal Chemistry
427666 Rossato, Gianluca; Ernst, Beat; Smiesko, Martin; Spreafico, Morena; Vedani, Angelo
2010
Probing small-molecule binding to cytochrome P450 2D6 and 2C9: an in silico protocol for generating toxicity alerts
ChemMedChem
214917 Mesch, Stefanie; Moser, Delia; Strasser, Daniel S; Kelm, Antje; Cutting, Brian; Rossato, Gianluca; Vedani, Angelo; Koliwer-Brandl, Hendrik; Wittwer, Matthias; Rabbani, Said; Schwardt, Oliver; Kelm, Soerge; Ernst, Beat
2010
Low Molecular Weight Antagonists of the Myelin-associated Glycoprotein : Synthesis, Docking and Biological Evaluation
Journal of Medicinal 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
214862 Ernst, Beat; Schwardt, Oliver; Mesch, Stefanie; Wittwer, Matthias; Rossato, Gianluca; Vedani, Angelo
2010
From the ganglioside GQ1ba to glycomimetic antagonists of the myelin-associated glycoprotein (MAG)
Chimia
160486 Stokmaier, Daniela; Khorev, Oleg; Böni, F.; Gentner, M.; Cutting, Brian; Born, Rita; Schwingruber, K.; Ernst, T. O. G.; Wittwer, Matthias; Ricklin, Daniel; Spreafico, Morena; Vedani, Angelo; Rabbani, Said; Schwardt, Oliver; Ernst, Beat
2009
Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R)
Bioorganic & Medicinal Chemistry
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
160452 Schwardt, Oliver; Gäthje, Heiko; Vedani, Angelo; Mesch, Stefanie; Gao, Gan-Pan; Spreafico, Morena; von Orelli, Johannes; Kelm, Sørge; Ernst, Beat
2009
Examination of the biological role of the a(2-6)-linked sialic acid in gangliosides binding to the myelin-associated glycoprotein (MAG)
Journal of Medicinal Chemistry
160460 Peristera, Ourania; Spreafico, Morena; Smiesko, Martin; Ernst, Beat; Vedani, Angelo.
2009
Mixed-model QSAR at the human mineralocorticoid receptor : Predicting binding mode and affinity of anabolic steroids
Toxicology Letters
Publication: Thesis (Dissertationen, Habilitationen)
ID
Author
Year
Title
Publisher
2362428 Eid, Sameh
2013
Molecular simulations of carbohydrate-protein complexes
University of Basel
2362433 Zalewski, Adam
2013
In pursuit of a novel UTI treatment strategy - an in silico study of the FimH adhesin
University of Basel
981985 Rossato, Gianluca
2011
Molecular simulations on proteins of biomedical interest: A. Ligand–protein hydration B. Cytochrome P450 2D6 and 2C9 C. Myelin Associated Glycoprotein (MAG)
University of Basel
427723 Peristera Ourania
2010
QSAR at the estrogen and mineralocorticoid receptors
University of Basel
Showing records 1 - 20 (of 21)
