Thierry Langer
Thierry Langer
University of Innsbruck, University of Vienna
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Cited by
Cited by
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
G Wolber, T Langer
Journal of chemical information and modeling 45 (1), 160-169, 2005
Why drugs fail-a study on side effects in new chemical entities
D Schuster, C Laggner, T Langer
Current pharmaceutical design 11 (27), 3545-3559, 2005
Recognizing pitfalls in virtual screening: a critical review
T Scior, A Bender, G Tresadern, JL Medina-Franco, K MartÝnez-Mayorga, ...
Journal of chemical information and modeling 52 (4), 867-881, 2012
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—what can we learn from earlier mistakes?
J Kirchmair, P Markt, S Distinto, G Wolber, T Langer
Journal of computer-aided molecular design 22, 213-228, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
G Wolber, T Seidel, F Bendix, T Langer
Drug discovery today 13 (1-2), 23-29, 2008
Efficient overlay of small organic molecules using 3D pharmacophores
G Wolber, AA Dornhofer, T Langer
Journal of computer-aided molecular design 20 (12), 773-788, 2006
A compact review of molecular property prediction with graph neural networks
O Wieder, S Kohlbacher, M Kuenemann, A Garon, P Ducrot, T Seidel, ...
Drug Discovery Today: Technologies 37, 1-12, 2020
Recent advances in docking and scoring
EM Krovat, T Steindl, T Langer
Current computer-aided drug design 1 (1), 93-102, 2005
Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products
JM Rollinger, A Hornick, T Langer, H Stuppner, H Prast
Journal of medicinal chemistry 47 (25), 6248-6254, 2004
Virtual screening for the discovery of bioactive natural products
JM Rollinger, H Stuppner, T Langer
Natural compounds as drugs Volume I, 211-249, 2008
Pharmacophores and pharmacophore searches
R Mannhold, H Kubinyi, G Folkers
Wiley-Vch, 2006
Virtual screening an effective tool for lead structure discovery
T Langer, RD Hoffmann
Current pharmaceutical design 7 (7), 509-527, 2001
Computational medicinal chemistry for drug discovery
P Bultinck, H De Winter, W Langenaeker, JP Tollenare
CRC Press, 2003
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations
J Kirchmair, G Wolber, C Laggner, T Langer
Journal of chemical information and modeling 46 (4), 1848-1861, 2006
The discovery of new 11β-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening
D Schuster, EM Maurer, C Laggner, LG Nashev, T Wilckens, T Langer, ...
Journal of medicinal chemistry 49 (12), 3454-3466, 2006
In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens
JM Rollinger, D Schuster, B Danzl, S Schwaiger, P Markt, M Schmidtke, ...
Planta medica 75 (03), 195-204, 2009
Discovery of high-affinity ligands of σ1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening
C Laggner, C Schieferer, B Fiechtner, G Poles, RD Hoffmann, ...
Journal of medicinal chemistry 48 (15), 4754-4764, 2005
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms
J Kirchmair, C Laggner, G Wolber, T Langer
Journal of chemical information and modeling 45 (2), 422-430, 2005
Strategies for efficient lead structure discovery from natural products
JM Rollinger, T Langer, H Stuppner
Current medicinal chemistry 13 (13), 1491-1507, 2006
Chemical feature-based pharmacophores and virtual library screening for discovery of new leads.
T Langer, EM Krovat
Current opinion in drug discovery & development 6 (3), 370-376, 2003
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