Thierry Langer

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Gerhard WolberProfessor for Pharmaceutical ChemistryVerifierad e-postadress på fu-berlin.de
Daniela SchusterProfessor and Head of the Department of Pharmaceutical and Medicinal Chemistry at the ParacelsusVerifierad e-postadress på pmu.ac.at
Johannes KirchmairUniversity of ViennaVerifierad e-postadress på univie.ac.at
Judith RollingerUniversity of ViennaVerifierad e-postadress på univie.ac.at
VITTORIO PACEUniversity of Vienna - Department of Pharmaceutical ChemistryVerifierad e-postadress på ucm.es
Gudrun SpitzerUniversität InnsbruckVerifierad e-postadress på liedllab.org
Stefano AlcaroNet4Science spinoff & Dipartimento di Scienze della Salute - UMG di Catanzaro (Italy)Verifierad e-postadress på unicz.it
Francesco OrtusoUniversità "Magna Graecia" di CatanzaroVerifierad e-postadress på unicz.it
Anzini MaurizioProfessore Associato Confermato di Chimica Farmaceutica e Tossicologica,Università di SienaVerifierad e-postadress på unisi.it
Gerhard F EckerProfessor of Pharmacoinformatics, University of ViennaVerifierad e-postadress på univie.ac.at
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckVerifierad e-postadress på uibk.ac.at
Paolo PaoliDipartimento di Scienze Biomediche Sperimentali e Cliniche, Università degli Studi di FirenzeVerifierad e-postadress på unifi.it
Thomas M. WeigerUniversity of Salzburg Department of BiosciencesVerifierad e-postadress på sbg.ac.at
Anton HermannProfessor of Physiology em, University SalzburgVerifierad e-postadress på sbg.ac.at
Ulrike GrienkeUniversity of ViennaVerifierad e-postadress på univie.ac.at
Maria cristina MenzianiUniversità di Modena e Reggio EmiliaVerifierad e-postadress på unimore.it
Hartmut GlossmannFull Professor M.D. PhD. Qualified Specialist In Pharmacology,Toxicology and Clinical PharmacologyVerifierad e-postadress på i-med.ac.at
Andreas BenderUniversity of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai; UMF ClujVerifierad e-postadress på cam.ac.uk
Gary TresadernComputational chemistry, Johnson & Johnson Innovative MedicineVerifierad e-postadress på its.jnj.com
T. SciorProfesor e Investigador, BENEMERITA UNIVERSIDAD AUTONOMA DE PUEBLAVerifierad e-postadress på correo.buap.mx

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Thierry Langer

University of Innsbruck, University of Vienna

Verifierad e-postadress på univie.ac.at

medicinal chemistry computer-aided molecular design pharmacology


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	2166	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	513	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	509	2012
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	487	2020
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	456	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	388	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	380	2006
Recent advances in docking and scoring EM Krovat, T Steindl, T Langer Current computer-aided drug design 1 (1), 93-102, 2005	295	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	287	2004
Pharmacophores and pharmacophore searches R Mannhold, H Kubinyi, G Folkers Wiley-Vch, 2006	272	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	270	2008
Computational medicinal chemistry for drug discovery P Bultinck, H De Winter, W Langenaeker, JP Tollenare CRC Press, 2003	257	2003
Virtual screening an effective tool for lead structure discovery T Langer, RD Hoffmann Current pharmaceutical design 7 (7), 509-527, 2001	222	2001
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	193	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	165	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	154	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	154	2005
Structure–activity relationships and molecular modelling of 5-arylidene-2, 4-thiazolidinediones active as aldose reductase inhibitors R Maccari, R Ottanà, C Curinga, MG Vigorita, D Rakowitz, T Steindl, ... Bioorganic & medicinal chemistry 13 (8), 2809-2823, 2005	150	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	150	2005
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	150	2003

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