Einzelansicht Langer

[Back]

Univ.-Prof. Mag. Dr. Thierry Langer

T: +43-1-4277-55103

thierry.langer@univie.ac.at

https://cheminfo.univie.ac.at/people/principal-investigator/thierry-langer/

Division of Pharmaceutical Chemistry
Cheminformatics Research Group
Room 2D306

Winter term 2026

262005 VO Introduction to Computational Biology and Drug Discovery

321001 VO Steop Einführung in die pharmazeutischen Wissenschaften - B1

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323003 VO Basics of Drug Discovery - MPS2

323004 VO Drug Discovery - MPS3

Summer term 2026

301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design

321029 VO Pharmazeutische Chemie 2 - B15

322005 VO (Bio)pharmazeutika mit Wirkung auf das Herz-Kreislauf System - M4

322006 VO (Bio)pharmazeutika mit Wirkung auf das Nervensystem - M5

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323008 SE Case Studies in Drug Discovery and Preclinical Drug Development - MPS7 - (2 Courses)

323101 VU Pharmacoinformatics - MPS5

950279 VO VO Pharmazeutische Chemie einschließlich Arzneimittelanalyse

Winter term 2025

262005 VO Introduction to Computational Biology and Drug Discovery

321001 VO Steop Einführung in die pharmazeutischen Wissenschaften - B1

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323003 VO Basics of Drug Discovery - MPS2

323004 VO Drug Discovery - MPS3

Markt P, Feldmann C, Rollinger JM, Raduner S, Schuster D, Kirchmair J et al. Discovery of Novel CB2 Receptor Ligands by a Pharmacophore-Based Virtual Screening Workflow. Journal of Medicinal Chemistry. 2009 Jan 22;52(2):369-378. doi: 10.1021/jm801044g

Spitzer GM, Fuchs JE, Markt P, Kirchmair J, Wellenzohn B, Langer T et al. Sequence-Specific Positions of Water Molecules at the Interface between DNA and Minor Groove Binders. ChemPhysChem: a European journal of chemical physics and physical chemistry. 2008 Dec 22;9(18):2766-2771. doi: 10.1002/cphc.200800647

Kirchmair J, Markt P, Distinto S, Schuster D, Spitzer GM, Liedl KR et al. The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery. Journal of Medicinal Chemistry. 2008 Nov 27;51(22):7021-7040. doi: 10.1021/jm8005977

Markt P, Petersen RK, Flindt EN, Krjstiansen K, Kirchmair J, Spitzer G et al. Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening. Journal of Medicinal Chemistry. 2008 Oct 23;51(20):6303-6317. doi: 10.1021/jm800128k

Wolber G, Kirchmair J, Bendix F, Langer T. CINF 37-Accurate and fast virtual screening using 3-D pharmacophore queries. American Chemical Society. Abstracts of Papers (at the National Meeting). 2008 Aug 17;236.

Seidel T, Wolber G, Langer T. CINF 59-Ligand tautomer enumeration and scoring for structure-based 3-D pharmacophore modeling. American Chemical Society. Abstracts of Papers (at the National Meeting). 2008 Aug 17;236.

Wolber G, Kirchmair J, Bendix F, Langer T. COMP 101-Multitarget screening: Is cherry-picking scalable? American Chemical Society. Abstracts of Papers (at the National Meeting). 2008 Aug 17;236.

Markt P, McGoohan C, Walker B, Kirchmair J, Feldmann CL, De Martino G et al. Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening. Journal of Chemical Information and Modeling. 2008 Aug;48(8):1693-1705. doi: 10.1021/ci800101j

Schuster D, Nashev LG, Kirchmair J, Laggner C, Wolber G, Langer T et al. Discovery of nonsteroidal 17 beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. Journal of Medicinal Chemistry. 2008 Jul 24;51(14):4188-4199. doi: 10.1021/jm800054h

Bryant S , Langer T. 3D Quantitative Structure-Property Relationships. In Wermuth C, editor, The Practice of Medicinal Chemistry. 3 ed. Burlington, MA : Elsevier. 2008. p. 587-604 doi: 10.1016/B978-0-12-374194-3.00029-9

Bryant S , Langer T. In Silico Screening: Hit Finding from Database Mining. In Wermuth C, editor, The Practice of Medicinal Chemistry. 3 ed. Burlington, MA : Elsevier. 2008. p. 210-227 doi: 10.1016/B978-0-12-374194-3.00010-X

Maccari R, Ottana R, Ciurleo R, Rakowitz D, Matuszczak B, Laggner C et al. Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives. Bioorganic & Medicinal Chemistry. 2008 Jun 1;16(11):5840-5852. doi: 10.1016/j.bmc.2008.04.072

Wolber G, Ibis G, Bendix F, Langer T. CINF 60-Activity profile browsing using target affinity maps. American Chemical Society. Abstracts of Papers (at the National Meeting). 2008 Apr 6;235.

Langer T, Wolber G, Schuster D. CINF 77-Structure-focused pharmacophore models for teaching and exploring protein-ligand interactions. American Chemical Society. Abstracts of Papers (at the National Meeting). 2008 Apr 6;235.

Kirchmair J, Markt P, Distinto S, Wolber G, Langer T. Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes? Journal of Computer-Aided Molecular Design. 2008 Mar;22(3-4):213-228. doi: 10.1007/s10822-007-9163-6

Rollinger JM, Steindl TM, Schuster D, Kirchmair J, Anrain K, Ellmerer EP et al. Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein. Journal of Medicinal Chemistry. 2008 Feb 28;51(4):842-851. doi: 10.1021/jm701494b

Wolber G, Seidel T, Bendix F, Langer T. Molecule-pharmacophore superpositioning and pattern matching in computational drug design. Drug Discovery Today. 2008 Jan;13(1-2):23-29.

Kirchmair J, Distinto S, Schuster D, Spitzer G, Langer T, Wolber G. Enhancing drug discovery through in silico screening: Strategies to increase true positives retrieval rates. Current Medicinal Chemistry. 2008;15(20):2040-2053. doi: 10.2174/092986708785132843

Laggner C, Wolber G, Kirchmair J, Schuster D, Langer T. Pharmacophore-based Virtual Screening in Drug Discovery. In Varnek A, Tropsha A, editors, Chemoinformatics Approaches to Virtual Screening. Cambridge: RSC Publishing. 2008. p. 76-119 doi: 10.1039/9781847558879-00076

Markt P, Schuster D, Kirchmair J, Laggner C, Langer T. Pharmacophore modeling and parallel screening for PPAR ligands. Journal of Computer-Aided Molecular Design. 2007 Oct;21(10-11):575-590. doi: 10.1007/s10822-007-9140-0

Binding Affinity Estimation using GRADE

Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)

14 Sept 2025

Activity: Talks and presentations › Talk or oral contribution › Science to Science

GRADE-ing Protein-Ligand Interactions

Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)

19 Jun 2025

Activity: Talks and presentations › Talk or oral contribution › Science to Science

Binding affinity estimation using GRADE

Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)

23 Mar 2025

Activity: Talks and presentations › Talk or oral contribution › Science to Science