2006 |
15 | EE | Francesco Ortuso,
Thierry Langer,
Stefano Alcaro:
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition.
Bioinformatics 22(12): 1449-1455 (2006) |
14 | EE | Monika Rella,
Christopher A. Rushworth,
Jodie L. Guy,
Anthony J. Turner,
Thierry Langer,
Richard M. Jackson:
Structure-Based Pharmacophore Design and Virtual Screening for Novel Angiotensin Converting Enzyme 2 Inhibitors.
Journal of Chemical Information and Modeling 46(2): 708-716 (2006) |
13 | EE | 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.
Journal of Chemical Information and Modeling 46(3): 1301-1311 (2006) |
12 | EE | 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.
Journal of Chemical Information and Modeling 46(3): 1439-1455 (2006) |
11 | EE | 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.
Journal of Chemical Information and Modeling 46(4): 1848-1861 (2006) |
2005 |
10 | EE | Eva M. Krovat,
Karin H. Frühwirth,
Thierry Langer:
Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa.
Journal of Chemical Information and Modeling 45(1): 146-159 (2005) |
9 | EE | Gerhard Wolber,
Thierry Langer:
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters.
Journal of Chemical Information and Modeling 45(1): 160-169 (2005) |
8 | EE | Johannes Kirchmair,
Christian Laggner,
Gerhard Wolber,
Thierry Langer:
Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms.
Journal of Chemical Information and Modeling 45(2): 422-430 (2005) |
7 | EE | Daniela Schuster,
Thierry Langer:
The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling.
Journal of Chemical Information and Modeling 45(2): 431-439 (2005) |
6 | EE | 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.
Journal of Chemical Information and Modeling 45(3): 716-724 (2005) |
2004 |
5 | EE | Judith M. Rollinger,
Sabine Haupt,
Hermann Stuppner,
Thierry Langer:
Combining Ethnopharmacology and Virtual Screening for Lead Structure Discovery: COX-Inhibitors as Application Example.
Journal of Chemical Information and Modeling 44(2): 480-488 (2004) |
4 | EE | Eva M. Krovat,
Thierry Langer:
Impact of Scoring Functions on Enrichment in Docking-Based Virtual Screening: An Application Study on Renin Inhibitors.
Journal of Chemical Information and Modeling 44(3): 1123-1129 (2004) |
3 | EE | Theodora M. Steindl,
Thierry Langer:
Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening.
Journal of Chemical Information and Modeling 44(5): 1849-1856 (2004) |
1998 |
2 | EE | Thierry Langer,
Rémy D. Hoffmann:
On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR.
Journal of Chemical Information and Computer Sciences 38(2): 325-330 (1998) |
1993 |
1 | | Thierry Langer,
Camille G. Wermuth:
Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR.
Journal of Computer-Aided Molecular Design 7(3): 253-262 (1993) |