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Univ.-Prof. Mag. Dr. Thierry Langer
Thierry Langer
T: +43-1-4277-55103
https://cheminfo.univie.ac.at/people/principal-investigator/thierry-langer/
Winter term 2024
053640 SE Master's Seminar
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 2024
251393 VO Pharmazeutische Chemie (synthetische und semisynthetische Arzneistoffe) (VO)
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
322022 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
Winter term 2023
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
322022 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13
323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1
323003 VO Basics of Drug Discovery - MPS2
323004 VO Drug Discovery - MPS3
1 - 20 out of 218
Karwounopoulos J, Wu Z, Tkaczyk S, Wang S, Baskerville A, Ranasinghe K et al. Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential. Journal of Physical Chemistry B. 2024 Jul 18;128(28):6693-6703. doi: 10.1021/acs.jpcb.4c01417
Tkaczyk S, Karwounopoulos J, Schöller A, Woodcock HL, Langer T, Boresch S et al. Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network Potential. Journal of Chemical Theory and Computation. 2024 Apr 9;20(7):2719-2728. doi: 10.1021/acs.jctc.3c01274
Battisti V, Moesslacher J, Abdelnabi R, Leyssen P, Rosales Rosas AL, Langendries L et al. Design, synthesis, and lead optimization of piperazinyl-pyrimidine analogues as potent small molecules targeting the viral capping machinery of Chikungunya virus. European Journal of Medicinal Chemistry. 2024 Jan 15;264:116010. Epub 2023. doi: 10.1016/j.ejmech.2023.116010
Pojtanadithee P, Isswanich K, Buaban K, Chamni S, Wilasluck P, Deetanya P et al. A combination of structure-based virtual screening and experimental strategies to identify the potency of caffeic acid ester derivatives as SARS-CoV-2 3CLpro inhibitor from an in-house database. Biophysical Chemistry. 2024 Jan;304:107125. doi: 10.1016/j.bpc.2023.107125
Millard M, Kilian J, Ozenil M, Mogeritsch M, Schwingenschlögl-Maisetschläger V, Holzer W et al. Design, synthesis and preclinical evaluation of muscarine receptor antagonists via a scaffold-hopping approach. European Journal of Medicinal Chemistry. 2023 Dec 15;262:115891. doi: 10.1016/j.ejmech.2023.115891
Langer T. Next Generation Pharmacophore Modeling: Concepts and Applications. 2023.
Langer T. Next Generation Pharmacophore Modeling: Tools and Applications. 2023.
Bampali K, Koniuszewski F, Vogel FD, Fabjan J, Andronis C, Lekka E et al. GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach. Cell Biology and Toxicology. 2023 Dec;39(6):2793-2819. doi: 10.1007/s10565-023-09803-y
Spreitzer I, Keife J, Strasser T, Kalaba P, Lubec J, Neuhaus W et al. Pharmacokinetics of Novel Dopamine Transporter Inhibitor CE-123 and Modafinil with a Focus on Central Nervous System Distribution. International Journal of Molecular Sciences. 2023 Dec;24(23):16956. doi: 10.3390/ijms242316956
Langer T. Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design. 2023.
Gehringer M, Pape F, Méndez M, Barbie P, Unzue Lopez A, Lefranc J et al. Back in Person: Frontiers in Medicinal Chemistry 2023. ChemMedChem. 2023 Oct 4;18(19):e202300344. doi: 10.1002/cmdc.202300344
Seidel T, Permann C, Wieder O, Kohlbacher SM, Langer T. High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment. Journal of Chemical Information and Modeling. 2023 Sep 11;63(17):5549-5570. doi: 10.1021/acs.jcim.3c00563
Langer T. The Versatile World of Pharmacophore Models. 2023.
Kalaba P, Pacher K, Neill PJ, Dragacevic V, Zehl M, Wackerlig J et al. Chirality Matters: Fine-Tuning of Novel Monoamine Reuptake Inhibitors Selectivity through Manipulation of Stereochemistry. Biomolecules. 2023 Sep;13(9):1415. doi: 10.3390/biom13091415
Malik M, Senatore R, Langer T, Holzer W, Pace V. Base-mediated homologative rearrangement of nitrogen-oxygen bonds of N-methyl-N-oxyamides. Chemical Science. 2023 Aug 29;14(37):10140-10146. doi: 10.1039/d3sc03216g
Pojtanadithee P, Hengphasatporn K, Suroengrit A, Boonyasuppayakorn S, Wilasluck P, Deetanya P et al. Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches. Journal of Chemical Information and Modeling. 2023 Aug 28;63:5244-5258. doi: 10.1021/acs.jcim.3c00663
Langer T. Next Generation Pharmacophore Modeling for Advanced Molecular Design and Risk Assessment. 2023.
Langer T. 3D Feature-based Pharmacophores: Model Building and Applications (1). 2023.
Langer T. 3D Feature-based Pharmacophores: Model Building and Applications (2). 2023.
Langer T. Merging Computational and Medicinal Chemistry: Maurizio Botta as a Role Model. 2023.
1 - 20 out of 218

Towards Next Generation Pharmacophore Modeling: Concepts and Applications

Thierry Langer (Speaker)

21 Dec 2022

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

Pharmacophore Models: Useful Tools for Bio-Active Compound Identification, Optimization, and Profiling

Thierry Langer (Speaker)

15 Dec 2022

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

Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design

Thierry Langer (Speaker)

18 Jul 2022

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

Approaches to Next Generations Pharmacophore Modeling

Thierry Langer (Speaker)

29 Jun 2022

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

Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design

Thierry Langer (Speaker)

25 May 2022

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

In silico and in vitro Approach to Assess Direct Allosteric AMPK Activators from Nature

Benjamin Kirchweger (Speaker), Andreas Wasilewicz (Contributor), Katrin Fischhuber (Contributor), Ammar Tahir (Contributor), Ya Chen (Contributor), Elke Heiß (Contributor), Thierry Langer (Contributor), Johannes Kirchmair (Contributor) & Judith Maria Rollinger (Contributor)

20 May 2022

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

Academic Drug Discovery: Pittfalls and Bottlenecks

Thierry Langer (Speaker)

11 May 2022

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

A Computational Approach to Identify Potential Novel Inhibitors Against The Coronavirus SARS-CoV-2

Ernst Urban (Speaker), Thierry Langer (Speaker), Thomas Seidel (Speaker), Oliver Wieder (Speaker) & Arthur Garon (Speaker)

28 Jul 2020

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

New Approaches to Analyze Big Data: The Molecular Dynamics Trajectory Case

Thierry Langer (Speaker)

28 Nov 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

24 Nov 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Assisted Molecular Design

Thierry Langer (Speaker)

16 Sep 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

21 May 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards next Generation Pharmacophores: Concepts and Application

Thierry Langer (Speaker)

20 Mar 2019

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

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

20 Mar 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore Modelling: How to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

23 Jan 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Discovery of new GPBAR1 agonists by combined in silico - in vitro screening

Benjamin Kirchweger (Speaker), Jadel Müller Kratz (Contributor), Angela Ladurner (Contributor), Ulrike Grienke (Contributor), Verena Dirsch (Contributor), Thierry Langer (Contributor) & Judith Maria Rollinger (Contributor)

26 Aug 2018

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

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

5 Jul 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

2 Jul 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Assisted Molecular Design

Thierry Langer (Speaker)

29 Jun 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Generation of Structure-based Pharmacophore Models in Protein Binding Sites Obtained from Molecular Dynamics Simulations

Thierry Langer (Speaker)

29 May 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

22 May 2018

Activity: Talks and presentations › Talk or oral contribution › Other

In silico tools for early phase side effect profiling and off target prediction of potential drug candidates

Thierry Langer (Speaker)

5 Apr 2018

Activity: Talks and presentations › Talk or oral contribution › Other

MD Derived Feature-based Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Multitarget Drug Discovery

Thierry Langer (Speaker)

16 Mar 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

28 Jan 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

16 Nov 2017

Activity: Talks and presentations › Talk or oral contribution › Other

In Silico Tools for Early Drug Discovery

Thierry Langer (Speaker)

14 Nov 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Metabolism & Bioisosteres in Medicinal Chemistry

Thierry Langer (Speaker)

19 Oct 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Activity Profiling & Toxicity Prediction Using Inte:Ligand's LigandScout KNIME Extensions

Thierry Langer (Speaker)

9 Oct 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Aided Molecular Design

Thierry Langer (Speaker)

12 Sep 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Towards next Generation Pharmacophore Models: Concepts and Applications

Thierry Langer (Speaker)

25 Aug 2017

Activity: Talks and presentations › Talk or oral contribution › Other

3D Pharmacophores for Hit and Lead Identification: Current and Future Aspects

Thierry Langer (Speaker)

26 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophore and the Common Hits Approach: A Novel Method for Enhancing Virtual Screening Efficiency

Thierry Langer (Speaker)

23 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic pharmacophores and the common hits approach: a novel method for enhancing virtual screening efficiency

Thierry Langer (Speaker)

23 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

3D Pharmacophores for Hit and Lead Identification: Current and Future Aspects

Thierry Langer (Speaker)

26 Apr 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore Approaches for Polypharmacoliogical Profiling of Compound Libaries

Thierry Langer (Speaker)

8 Feb 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Introduction to Ligand-Based Drug Design: Pharmacophore Methods

Thierry Langer (Speaker)

18 Jan 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Seminarvortrag

Thierry Langer (Speaker)

12 Dec 2016

Activity: Talks and presentations › Talk or oral contribution › Other

Department of Pharmaceutical Sciences

Head

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien
Room: 2D306

T: +43-1-4277-55103

thierry.langer@univie.ac.at