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Journal Articles
- 2008
[j13]Patrick Markt, Caroline McGoohan, Brian Walker, Johannes Kirchmair
, Clemens Feldmann, Gabriella De Martino, Gudrun M. Spitzer, Simona Distinto, Daniela Schuster, Gerhard Wolber, Christian Laggner, Thierry Langer:
Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening. J. Chem. Inf. Model. 48(8): 1693-1705 (2008)- 2007
- [j12]Birgit Schlegel, Christian Laggner, René Meier, Thierry Langer, David Schnell, Roland Seifert, Holger Stark, Hans-Dieter Höltje, Wolfgang Sippl:
Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening. J. Comput. Aided Mol. Des. 21(8): 437-453 (2007) - [j11]Patrick Markt, Daniela Schuster, Johannes Kirchmair, Christian Laggner, Thierry Langer:
Pharmacophore modeling and parallel screening for PPAR ligands. J. Comput. Aided Mol. Des. 21(10-11): 575-590 (2007) - [j10]Theodora M. Steindl, Daniela Schuster, Christian Laggner, Karen Chuang, Rémy D. Hoffmann, Thierry Langer:
Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models. J. Chem. Inf. Model. 47(2): 563-571 (2007) - [j9]Gudrun M. Spitzer, Bernd Wellenzohn, Christian Laggner, Thierry Langer, Klaus R. Liedl:
DNA Minor Groove Pharmacophores Describing Sequence Specific Properties. J. Chem. Inf. Model. 47(4): 1580-1589 (2007) - [j8]Johannes Kirchmair, Stojanka Ristic, Kathrin Eder, Patrick Markt, Gerhard Wolber, Christian Laggner, Thierry Langer:
Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches. J. Chem. Inf. Model. 47(6): 2182-2196 (2007) - 2006
- [j7]Theodora M. Steindl, Daniela Schuster, Gerhard Wolber, Christian Laggner, Thierry Langer:
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. J. Comput. Aided Mol. Des. 20(12): 703-715 (2006) - [j6]Daniela Schuster, Christian Laggner, Theodora M. Steindl, Anja Palusczak, Rolf W. Hartmann, Thierry Langer:
Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors. J. Chem. Inf. Model. 46(3): 1301-1311 (2006) - [j5]Joan R. Cucarull-González, Christian Laggner, Thierry Langer:
Influence of the Conditions in Pharmacophore Generation, Scoring, and 3D Database Search for Chemical Feature-Based Pharmacophore Models: One Application Study of ETA- and ETB-Selective Antagonists. J. Chem. Inf. Model. 46(3): 1439-1455 (2006) - [j4]Johannes Kirchmair, Gerhard Wolber, Christian Laggner, Thierry Langer:
Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations. J. Chem. Inf. Model. 46(4): 1848-1861 (2006) - [j3]Theodora M. Steindl, Daniela Schuster, Christian Laggner, Thierry Langer:
Parallel Screening: A Novel Concept in Pharmacophore Modeling and Virtual Screening. J. Chem. Inf. Model. 46(5): 2146-2157 (2006) - 2005
- [j2]Johannes Kirchmair, Christian Laggner, Gerhard Wolber, Thierry Langer:
Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms. J. Chem. Inf. Model. 45(2): 422-430 (2005) - [j1]Theodora M. Steindl, Christian Laggner, Thierry Langer:
Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening. J. Chem. Inf. Model. 45(3): 716-724 (2005)
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