• Overview
• ChemMedChem
• Journal of Medicinal Chemistry
• Toxicology Letters
• ALTEX & ATLA
• Molecular Informatics
• Journal of the American Chemical Society
• Other journals

Publications

Selected Publications of High Relevance

• Molecular mechanisms of endocrine and metabolic disruption: An in silico study on antitrypanosomal natural products and some derivatives Hu, Z., Wahl, J., Hamburger, M. and Vedani, A. Tox. Lett. (2016), 252, 29–41. View/Download
   
• OpenVirtualToxLab — A platform for generating and exchanging in silico toxicity data.
  Vedani, A., Dobler, M., Hu, Z. and Smiesko, M. Tox. Lett. 2015, 232, 519–532. View/Download
   
• VirtualToxLab — A platform for estimating the toxic potential of drugs, chemicals and natural products.
  Vedani, A., Dobler. M. and Smiesko, Toxicol. Appl. Pharmacol. 2012, 261, 142–153. View Abstract
   
• Probing small-molecule binding to Cytochrome P450 2D6 and 2C9: An in silico protocol for generating toxicity alerts.
  Rossato, G., Ernst, B., Smiesko, M. Spreafico, M. and Vedani, A., ChemMedChem 2010, 5, 2088–2101. View Abstract
   
• Mixed-model QSAR at the glucocorticoid receptor: Prediciting the binding mode and affinity of psychotropic drugs.
  Spreafico, M. Ernst, B., Lill, M.A., Smiesko, M. and Vedani, A., ChemMedChem 2009, 4, 100–109. View Abstract
   
• Simulating α/β selectivity at the human thyroid hormone receptor: Consensus scoring using multi-dimensional QSAR.
  Vedani, A., Zumstein, M., Lill, M.A. and Ernst, B., ChemMedChem 2007, 2, 78–87. View Abstract
   
• Prediction of small-molecule binding to Cytochrome P450 3A4: Flexible docking combined with multidimensional QSAR
  Lill, M.A., Dobler, M. and Vedani, A., ChemMedChem 2006, 1, 73–81. View Abstract
   
• Impact of induced fit on ligand binding to the androgen receptor: A multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals
  Lill M.A., Winiger, F., Vedani, A. and Ernst, B., J. Med. Chem. 2005, 48, 5666–5674. View Abstract
   
• Combining protein modeling and 6D-QSAR – Simulating the binding of structurally diverse ligands to the estrogen receptor
  Vedani, A., Dobler, M. and Lill M.A., J. Med. Chem. 2005, 48, 3700–3703. View Abstract
   
• 5D-QSAR: The key for simulating induced fit ?
  Vedani, A. and Dobler M., J. Med. Chem.. 2002, 45, 2139–2149. View Abstract