Publications
Showing entries 221 - 232 out of 232
2006
Ortuso F, Langer T, Alcaro S. GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition. Bioinformatics. 2006 Jun 15;22(12):1449-1455. doi: 10.1093/bioinformatics/btl115
Schuster D, Maurer EM, Laggner C, Nashev LG, Wilckens T, Langer T et al. The discovery of new 11 beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. Journal of Medicinal Chemistry. 2006 Jun 15;49(12):3454-3466. doi: 10.1021/jm0600794
Cucarull-Gonzalez JR, Laggner C, Langer T. Influence of the conditions in pharmacophore generation, scoring, and 3D database search for chemical feature-based pharmacophore models: One application study of ET(A)- and ET(B)-selective antagonists. Journal of Chemical Information and Modeling. 2006 May;46(3):1439-1455. doi: 10.1021/ci060006t
Schuster D, Laggner C, Steindl TM, Palusczak A, Hartmann RW, Langer T. Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors. Journal of Chemical Information and Modeling. 2006 May;46(3):1301-1311. doi: 10.1021/ci050237k
Langer T. Feature-based pharmacophores as a tool for activity profiling: Application examples. American Chemical Society. Abstracts of Papers (at the National Meeting). 2006 Mar 26;231.
Rollinger JM, Mock P, Zidorn C, Ellmerer EP, Langer T, Stuppner H. Erratum: Application of the in combo screening approach for the discovery of non-alkaloid acetylcholinesterase inhibitors from Cichorium intybus (Current Drug Discovery Technologies (2005) 2, (185-193)). Current Drug Discovery Technologies. 2006 Mar;3(1):89. doi: 10.2174/157016306776637582
Schuster D, Steindl TM, Langer T. Predicting Drug Metabolism Induction In Silico. Current Topics in Medicinal Chemistry. 2006;6(15):1627-1640. doi: 10.2174/156802606778108924
2005
Rollinger JM, Mock P, Zidorn C, Ellmerer EP, Langer T, Stuppner H. Application of the in combo screening approach for the discovery of non-alkaloid acetylcholinesterase inhibitors from Cichorium intybus. Current Drug Discovery Technologies. 2005 Sept;2(3):185-193. doi: 10.2174/1570163054866855
Rollinger JM, Bodensieck A, Seger C, Ellmerer EP, Bauer R, Langer T et al. Discovering COX-inhibiting constituents of Morus root bark: Activity-guided versus computer-aided methods. Planta Medica. 2005 May;71(5):399-405. doi: 10.1055/s-2005-864132
Kirchmair J, Laggner C, Wolber G, Langer T. Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms. Journal of Chemical Information and Modeling. 2005 Jan 12;45(2):422-430. doi: 10.1021/ci0497531
2004
Rollinger JM, Hornick A, Langer T, Stuppner H, Prast H. Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products. Journal of Medicinal Chemistry. 2004 Dec 2;47(25):6248-6254. doi: 10.1021/jm049655r
Rollinger JM, Haupt S, Stuppner H, Langer T. Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example. Journal of Chemical Information and Computer Sciences. 2004;44(2):480-488. doi: 10.1021/ci030031o
Showing entries 221 - 232 out of 232