Publications
Selected Publications of High Relevance
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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
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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
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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
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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
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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
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5D-QSAR: The key for simulating induced fit ?
Vedani, A. and Dobler M., J. Med. Chem.. 2002, 45, 2139–2149. View Abstract
