Thierry Langer

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Gerhard WolberProfessor for Medicinal ChemistryVerified email at fu-berlin.de
Daniela SchusterProfessor and Head of the Department of Pharmaceutical and Medicinal Chemistry at the ParacelsusVerified email at pmu.ac.at
Johannes KirchmairUniversity of Vienna and University of HamburgVerified email at univie.ac.at
Judith RollingerUniversity of ViennaVerified email at univie.ac.at
VITTORIO PACEUniversity of Vienna - Department of Pharmaceutical ChemistryVerified email at ucm.es
Gudrun SpitzerUniversität InnsbruckVerified email at liedllab.org
Stefano AlcaroNet4Science spinoff & Dipartimento di Scienze della Salute - UMG di Catanzaro (Italy)Verified email at unicz.it
Francesco OrtusoUniversità "Magna Graecia" di CatanzaroVerified email at unicz.it
Anzini MaurizioProfessore Associato Confermato di Chimica Farmaceutica e Tossicologica,Università di SienaVerified email at unisi.it
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckVerified email at uibk.ac.at
Thomas M. WeigerUniversity of Salzburg Department of BiosciencesVerified email at sbg.ac.at
Anton HermannProfessor of Physiology em, University SalzburgVerified email at sbg.ac.at
Gerhard F EckerProfessor of Pharmacoinformatics, University of ViennaVerified email at univie.ac.at
Paolo PaoliDipartimento di Scienze Biomediche Sperimentali e Cliniche, Università degli Studi di FirenzeVerified email at unifi.it
Maria cristina MenzianiUniversità di Modena e Reggio EmiliaVerified email at unimore.it
Ulrike GrienkeUniversity of ViennaVerified email at univie.ac.at
Hartmut GlossmannFull Professor M.D. PhD. Qualified Specialist In Pharmacology,Toxicology and Clinical PharmacologyVerified email at i-med.ac.at
Joerg StriessnigUniversity of Innsbruck, AustriaVerified email at uibk.ac.at
Andreas BenderReader, University of Cambridge; Director, NuvisanVerified email at cam.ac.uk
Gary TresadernComputational chemistry, Janssen R&D, Pharmaceutical companies of Johnson and JohnsonVerified email at its.jnj.com

Thierry Langer

University of Innsbruck, University of Vienna

Verified email at univie.ac.at

medicinal chemistry computer-aided molecular design pharmacology


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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	1507	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	405	2005
Recognizing pitfalls in virtual screening: a critical review T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ... Journal of chemical information and modeling 52 (4), 867-881, 2012	352	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 (3), 213-228, 2008	337	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	310	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	292	2006
Recent advances in docking and scoring EM Krovat, T Steindl, T Langer Current computer-aided drug design 1 (1), 93-102, 2005	244	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	234	2004
Pharmacophores and pharmacophore searches R Mannhold, H Kubinyi, G Folkers John Wiley & Sons, 2006	211	2006
Virtual screening for the discovery of bioactive natural products JM Rollinger, H Stuppner, T Langer Natural compounds as drugs Volume I, 211-249, 2008	202	2008
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	175	2006
Virtual screening an effective tool for lead structure discovery T Langer, RD Hoffmann Current pharmaceutical design 7 (7), 509-527, 2001	162	2001
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	151	2006
Computational medicinal chemistry for drug discovery P Bultinck, H De Winter, W Langenaeker, JP Tollenare CRC Press, 2003	146	2003
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	139	2003
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	132	2005
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	129	2005
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	126	2009
Strategies for efficient lead structure discovery from natural products JM Rollinger, T Langer, H Stuppner Current medicinal chemistry 13 (13), 1491-1507, 2006	126	2006
Parallel screening: a novel concept in pharmacophore modeling and virtual screening TM Steindl, D Schuster, C Laggner, T Langer Journal of chemical information and modeling 46 (5), 2146-2157, 2006	124	2006

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