Publications

Journal of Medicinal Chemistry

Issue Title Authors Abstract
2005, 48, 5666–5674 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. View
2005, 48, 3700–3703 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. View
2005, 48, 1515–1527 Novel ligands for the chemokine receptor-3 (CCR3): A receptor-modeling study based on 5D-QSAR Vedani, A., Dobler M., Dollinger H., Hasselbach, K.-M., Birke F. and Lill, M.A. View
2004, 47, 6174–6186 Raptor – combining dual-shell representation, induced-fit simulation and hydrophobicity scoring in receptor modeling: Application towards the simulation of structurally diverse ligand sets Lill, M.A., Vedani, A. and M. Dobler View
2002, 45, 2139–2149 5D-QSAR: The key for simulating induced fit ? Vedani, A. and Dobler M. View
2000, 43, 4416–4427 Multiple conformation and protonation-state representation in 4D-QSAR: The neurokinin–1 receptor system Vedani, A., Briem, H., Dobler, M., Dollinger, H. and McMasters, D. R. View
1999, 42, 3075–3086 Ochratoxin binding to phenylalanyl-tRNA synthetase: Computational approach to ochratoxicosis and its antagonism McMasters, D. R. and Vedani, A. View