Thierry Langer

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Suautori

Gerhard WolberProfessor for Pharmaceutical ChemistryPotvrđena adresa e-pošte na fu-berlin.de
Daniela SchusterProfessor and Head of the Department of Pharmaceutical and Medicinal Chemistry at the ParacelsusPotvrđena adresa e-pošte na pmu.ac.at
Johannes KirchmairUniversity of ViennaPotvrđena adresa e-pošte na univie.ac.at
Judith RollingerUniversity of ViennaPotvrđena adresa e-pošte na univie.ac.at
VITTORIO PACEUniversity of Vienna - Department of Pharmaceutical ChemistryPotvrđena adresa e-pošte na ucm.es
Gudrun SpitzerUniversität InnsbruckPotvrđena adresa e-pošte na liedllab.org
Stefano AlcaroNet4Science spinoff & Dipartimento di Scienze della Salute - UMG di Catanzaro (Italy)Potvrđena adresa e-pošte na unicz.it
Francesco OrtusoUniversità "Magna Graecia" di CatanzaroPotvrđena adresa e-pošte na unicz.it
Anzini MaurizioProfessore Associato Confermato di Chimica Farmaceutica e Tossicologica,Università di SienaPotvrđena adresa e-pošte na unisi.it
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckPotvrđena adresa e-pošte na uibk.ac.at
Gerhard F EckerProfessor of Pharmacoinformatics, University of ViennaPotvrđena adresa e-pošte na univie.ac.at
Paolo PaoliDipartimento di Scienze Biomediche Sperimentali e Cliniche, Università degli Studi di FirenzePotvrđena adresa e-pošte na unifi.it
Thomas M. WeigerUniversity of Salzburg Department of BiosciencesPotvrđena adresa e-pošte na sbg.ac.at
Anton HermannProfessor of Physiology em, University SalzburgPotvrđena adresa e-pošte na sbg.ac.at
Maria cristina MenzianiUniversità di Modena e Reggio EmiliaPotvrđena adresa e-pošte na unimore.it
Ulrike GrienkeUniversity of ViennaPotvrđena adresa e-pošte na univie.ac.at
Hartmut GlossmannFull Professor M.D. PhD. Qualified Specialist In Pharmacology,Toxicology and Clinical PharmacologyPotvrđena adresa e-pošte na i-med.ac.at
Andreas BenderProfessor for Molecular Informatics in CambridgePotvrđena adresa e-pošte na cam.ac.uk
Gary TresadernComputational chemistry, Janssen R&D, Pharmaceutical companies of Johnson and JohnsonPotvrđena adresa e-pošte na its.jnj.com
Dimitris K AgrafiotisVice President, PfizerPotvrđena adresa e-pošte na generatebiomedicines.com

Prati

Thierry Langer

University of Innsbruck, University of Vienna

Potvrđena adresa e-pošte na univie.ac.at

medicinal chemistry computer-aided molecular design pharmacology


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	1911	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	463	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	447	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	419	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	355	2006
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	354	2008
Recent advances in docking and scoring EM Krovat, T Steindl, T Langer Current computer-aided drug design 1 (1), 93-102, 2005	270	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	264	2004
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	253	2020
Virtual screening for the discovery of bioactive natural products JM Rollinger, H Stuppner, T Langer Natural compounds as drugs Volume I, 211-249, 2008	247	2008
Pharmacophores and pharmacophore searches R Mannhold, H Kubinyi, G Folkers John Wiley & Sons, 2006	239	2006
Computational medicinal chemistry for drug discovery P Bultinck, H De Winter, W Langenaeker, JP Tollenare CRC Press, 2003	215	2003
Virtual screening an effective tool for lead structure discovery T Langer, RD Hoffmann Current pharmaceutical design 7 (7), 509-527, 2001	198	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	180	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	157	2006
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	143	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	141	2009
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	141	2003
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	137	2005
Strategies for efficient lead structure discovery from natural products JM Rollinger, T Langer, H Stuppner Current medicinal chemistry 13 (13), 1491-1507, 2006	136	2006

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