Publications

Showing entries 201 - 220 out of 239

2007

Laggner C, Nashev LG, Schuster D, Langer T, Odermatt A. CINF 15-Construction of a virtual library of endocrine disruptors for in silico target fishing. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Steindl TM, Schuster D, Kirchmair J, Hoffmann R, Laggner C, Wolber G et al. CINF 17-Effective and rapid bioactivity profiling using pharmacophore-based parallel screening. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Buu TTHH, Wolber G, Langer T, Lackner P, Lirk G. CINF 75-Scoring function to rank pharmacophoric alignments and its application to h1 antagonists. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Bendix F, Sladariu V, Langer T, Wolber G. CINF 88-Visualizing biological activity profiles using target affinity maps. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Wolber G, Bendix F, Kirchmair J, Langer T. COMP 157-A novel, efficient virtual screening algorithm using 3-D chemical feature pattern recognition. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Kirchmair J, Wolber G, Ristic S, Eder K, Markt P, Laggner C et al. COMP 186-RMSD comparisons, enrichment and decoy selection for virtual screening: What can we learn from earlier mistakes? American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Mangold M, Spitzer GM, Steindl TM, Wallnoefer HG, Laggner C, Langer T et al. COMP 295-Evaluation of pharmacophore modeling based virtual screening: comparative assessment of catalyst, phase and MOE at the example of HRV coat protein. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Grona S, Markt P, Kirchmair J, Schuster D, Langer T, Laggner C. COMP 299-How to improve structure-based pharmacophores by modeling the binding site shape. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Steindl TM et al. COMP 313-Pharmacophore-based virtual screening: How to obtain the best enrichment rates. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Spitzer GM, Wellenzohn B, Laggner C, Langer T, Liedl KR. COMP 475-DNA Minor groove pharmacophores describing sequence specific properties. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Maccari R, Paoli P, Ottana R, Jacomelli M, Ciurleo R, Manao G et al. 5-arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases. Bioorganic & Medicinal Chemistry. 2007 Aug 1;15(15):5137-5149. doi: 10.1016/j.bmc.2007.05.027
Schlegel B, Laggner C, Meier R, Langer T, Schnell D, Seifert R et al. Generation of a homology model of the human histamine H-3 receptor for ligand docking and pharmacophore-based screening. Journal of Computer-Aided Molecular Design. 2007 Aug;21(8):437-453. doi: 10.1007/s10822-007-9127-x, 10.1007/s10822-007-9127-x
Maccari R, Ottana R, Ciurleo R, Vigorita MG, Rakowitz D, Steindl T et al. Evaluation of in vitro aldose redutase inhibitory activity of 5-arylidene-2,4-thiazolidinediones. Bioorganic & Medicinal Chemistry Letters. 2007 Jul 15;17(14):3886-3893. doi: 10.1016/j.bmcl.2007.04.109
Collina S, Loddo G, Urbano M, Linati L, Callegari A, Ortuso F et al. Design, synthesis, and SAR analysis of novel selective sigma(1) ligands. Bioorganic & Medicinal Chemistry. 2007 Jan 15;15(2):771-783. doi: 10.1016/j.bmc.2006.10.048
Spitzer GM, Wellenzohn B, Laggner C, Langer T, Liedl KR. DNA minor groove pharmacophores describing sequence specific properties. Journal of Chemical Information and Modeling. 2007;47(4):1580-1589. doi: 10.1021/ci600500v
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Laggner C et al. Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches. Journal of Chemical Information and Modeling. 2007;47(6):2182-2196. doi: 10.1021/ci700024q
Steindl TM, Schuster D, Laggner C, Chuang K, Hoffmann RD, Langer T. Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models. Journal of Chemical Information and Modeling. 2007;47(2):563-571. doi: 10.1021/ci600321m
Langer T, Laggner C, Rollinger JM, Stuppner H. Pharmacophore-based screening for the successful identification of bio-active natural products. Chimia. 2007;61(6):350-354. doi: 10.2533/chimia.2007.350

2006

Wolber G, Dornhofer AA, Langer T. Efficient overlay of small organic molecules using 3D pharmacophores. Journal of Computer-Aided Molecular Design. 2006 Dec;20(12):773-788. doi: 10.1007/s10822-006-9078-7
Steindl TM, Schuster D, Wolber G, Laggner C, Langer T. High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. Journal of Computer-Aided Molecular Design. 2006 Dec;20(12):703-715. doi: 10.1007/s10822-006-9066-y
Showing entries 201 - 220 out of 239