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Univ.-Prof. Mag. Dr. Johannes Kirchmair
Johannes Kirchmair
T: +43-1-4277-55104
https://comp3d.univie.ac.at
Winter term 2025
262005 VO Introduction to Computational Biology and Drug Discovery
262006 UE Introduction to Computational Biology and Drug Discovery - Exercises
301817 VO MPM 7 - Lecture course: Model systems in precision medicine - in the context of signature diseases
321004 VO Physik und Informatik für PharmazeutInnen - B3
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
323005 VO Preclinical Drug Development - MPS4
323009 PR Lab Rotation I - MPS8
323010 PR Lab Rotation II - MPS8
323011 SE Proposal Writing - MPS9 - (2 Courses)
580008 SE SE Journal Club : Molecular Informatics
580009 SE SE Lecture Series Pharma and Food
Summer term 2025
301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design
321029 VO Pharmazeutische Chemie 2 - B15
322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13
323007 UE Experimental Methods in Drug Discovery und Preclinical Drug Development - MPS6 - (2 Courses)
323101 VU Pharmacoinformatics - MPS5
323102 VU Pharmacoinformatics Practical Course - MPS5
580006 SE Pharma Lectures
580009 SE Journal Club : Molecular Informatics
Winter term 2024
262005 VO Introduction to Computational Biology and Drug Discovery
262006 UE Introduction to Computational Biology and Drug Discovery - Exercises
301817 VO MPM 7 - Lecture course: Model systems in precision medicine - in the context of signature diseases
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
323009 PR Lab Rotation I - MPS8
323010 PR Lab Rotation II - MPS8
323011 SE Proposal Writing - MPS9 - (2 Courses)
580008 SE SE Journal Club : Molecular Informatics
580009 SE SE Lecture Series Pharma and Food
141 - 144 out of 144
Li J, Ehlers T, Sutter J, Varma-O'Brien S, Kirchmair J. CAESAR: A new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration. Journal of Chemical Information and Modeling. 2007;47(5):1923–1932. doi: 10.1021/ci700136x
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Laggner C et al. Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches. Journal of Chemical Information and Modeling. 2007;47(6):2182-2196. doi: 10.1021/ci700024q
Kirchmair J, Wolber G, Laggner C, Langer T. Comparative performance assessment of the conformational model generators omega and catalyst: A large-scale survey on the retrieval of protein-bound ligand conformations. Journal of Chemical Information and Modeling. 2006 Jul 24;46(4):1848-1861. doi: 10.1021/ci060084g
Kirchmair J, Laggner C, Wolber G, Langer T. Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms. Journal of Chemical Information and Modeling. 2005 Jan 12;45(2):422-430. doi: 10.1021/ci0497531
141 - 144 out of 144

Computational approaches for predicting assay interference

Kirchmair, J. (Speaker)

23 May 2024

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

Computational methods for early drug discovery

Kirchmair, J. (Speaker)

5 Apr 2024

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

Activity Cliffs Go Smooth: Graph Siamese Neural Networks for Molecular Activity Prediction

Mqawass, G. (Speaker), Hirte, S. (Speaker), Kirchmair, J. (Speaker) & Kriege, N. M. (Speaker)

8 Dec 2023

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

Maximizing the performance of similarity-based virtual screening methods

Kirchmair, J. (Speaker)

19 Apr 2023

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

In silico methods for flagging compounds that are likely to interfere with biological assays

Kirchmair, J. (Invited speaker)

16 Dec 2022

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

Cheminformatics in natural product-based drug discovery

Kirchmair, J. (Invited speaker)

24 Nov 2022

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

From in silico to in vivo - Psychotria nemorosa alkaloids counter protein toxicity in Caenorhabditis elegans

Kirchweger, B. (Speaker), Klein-Junior, L. C. (Contributor), Pretsch, D. (Contributor), Chen, Y. (Contributor), Cretton, S. (Contributor), de Gasper, A. L. (Contributor), Heyden, Y. V. (Contributor), Christen, P. (Contributor), Kirchmair, J. (Contributor), Henriques, A. T. (Contributor) & Rollinger, J. M. (Contributor)

31 Aug 2022

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

Natural products against SARS-CoV-2 or how to catch a butterfly?

Wasilewicz, A. (Speaker), Kirchweger, B. (Contributor), Bojkova, D. (Contributor), Abi Saad, M. J. (Contributor), Langeder, J. (Contributor), Grienke, U. (Contributor), Cinatl, J. (Contributor), Orts, J. (Contributor), Kirchmair, J. (Contributor), Rabenau, H. F. (Contributor) & Rollinger, J. M. (Contributor)

31 Aug 2022

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

Cheminformatics in Natural Product-Based Drug Discovery

Kirchmair, J. (Keynote speaker)

30 Aug 2022

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

Computerbasierte Vorhersage des Metabolismus von Wirkstoffen

Kirchmair, J. (Invited speaker)

12 Jul 2022

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

Cheminformatics in natural product-based drug discovery

Kirchmair, J. (Invited speaker)

30 Jun 2022

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

Introduction to machine learning in early drug discovery

Kirchmair, J. (Invited speaker)

21 Jun 2022

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

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

Kirchweger, B. (Speaker), Wasilewicz, A. (Contributor), Fischhuber, K. (Contributor), Tahir, A. (Contributor), Chen, Y. (Contributor), Heiß, E. (Contributor), Langer, T. (Contributor), Kirchmair, J. (Contributor) & Rollinger, J. M. (Contributor)

20 May 2022

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

In silico prediction of xenobiotic metabolism

Kirchmair, J. (Invited speaker)

19 May 2022

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

In silico prediction of drug metabolism

Kirchmair, J. (Invited speaker)

4 May 2022

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

Computational prediction of the metabolic fate of small molecules

Kirchmair, J. (Speaker)

28 Sept 2021

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

Computational methods for flagging compounds likely to cause false outcomes in biological assays

Kirchmair, J. (Speaker)

7 Jun 2021

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

In silico prediction of the macromolecular targets of natural products

Kirchmair, J. (Speaker)

9 Mar 2021

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

Computational prediction of xenobiotic metabolism (focus on AI/machine learning methods)

Kirchmair, J. (Speaker)

27 Jan 2021

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

Anti-Infectives Drug Discovery

Rollinger, J. M. (Project Lead), Dailey, L. A. (Co-Lead), Orts, J. (Co-Lead), Böttcher, T. (Co-Lead), Schmidt, M. (Co-Lead), Rademacher, C. J. H. (Co-Lead), Schützenmeister, N. (Co-Lead), Zotchev, S. (Co-Lead), Kirchmair, J. (Co-Lead) & Ortmayr, K. (Co-Lead)

1/07/25 → 30/06/29

Project: Research funding

AIDD: Advanced Machine Learning for Innovative Drug Discovery

Kirchmair, J. (Project Lead)

1/01/21 → 31/12/24

Project: Research funding

Department of Pharmaceutical Sciences

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien
Room: 2G353

T: +43-1-4277-55104

johannes.kirchmair@univie.ac.at