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Assoz. Prof. Mag. Dr. Johannes Kirchmair
Johannes Kirchmair
T: +43-1-4277-55104
https://comp3d.univie.ac.at
Summer term 2024
301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design
321029 VO Pharmazeutische Chemie 2 - B15
322022 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 SE Pharma Lectures
580009 SE SE Journal Club : Molecular Informatics
Winter term 2023
262005 VO Introduction to Computational Biology and Drug Discovery
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
322022 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
Summer term 2023
301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design
321029 VO Pharmazeutische Chemie 2 - B15
322022 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13
323101 VU Pharmacoinformatics - MPS5
323102 VU Pharmacoinformatics Practical Course - MPS5
580006 SE SE Lecture Series Pharma and Food
580009 SE SE Journal Club : Molecular Informatics
121 - 127 out of 127
Kirchmair J, Wolber G, Ristic S, Eder K, Markt P, Laggner C et al. COMP 186-RMSD comparisons, enrichment and decoy selection for virtual screening: What can we learn from earlier mistakes? American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Grona S, Markt P, Kirchmair J, Schuster D, Langer T, Laggner C. COMP 299-How to improve structure-based pharmacophores by modeling the binding site shape. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Steindl TM et al. COMP 313-Pharmacophore-based virtual screening: How to obtain the best enrichment rates. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
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
121 - 127 out of 127

Maximizing the performance of similarity-based virtual screening methods

Johannes Kirchmair (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

Johannes Kirchmair (Invited speaker)

16 Dec 2022

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

Cheminformatics in natural product-based drug discovery

Johannes Kirchmair (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

Benjamin Kirchweger (Speaker), Luiz C Klein-Junior (Contributor), Dagmar Pretsch (Contributor), Ya Chen (Contributor), Sylvian Cretton (Contributor), Andre Luis de Gasper (Contributor), Yvan Vander Heyden (Contributor), Philippe Christen (Contributor), Johannes Kirchmair (Contributor), Amélia T Henriques (Contributor) & Judith Maria Rollinger (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?

Andreas Wasilewicz (Speaker), Benjamin Kirchweger (Contributor), Denisa Bojkova (Contributor), Marie Jose Abi Saad (Contributor), Julia Langeder (Contributor), Ulrike Grienke (Contributor), Jindrich Cinatl (Contributor), Julien Orts (Contributor), Johannes Kirchmair (Contributor), Holger F. Rabenau (Contributor) & Judith Maria Rollinger (Contributor)

31 Aug 2022

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

Cheminformatics in Natural Product-Based Drug Discovery

Johannes Kirchmair (Keynote speaker)

30 Aug 2022

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

Computerbasierte Vorhersage des Metabolismus von Wirkstoffen

Johannes Kirchmair (Invited speaker)

12 Jul 2022

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

Cheminformatics in natural product-based drug discovery

Johannes Kirchmair (Invited speaker)

30 Jun 2022

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

Introduction to machine learning in early drug discovery

Johannes Kirchmair (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

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

In silico prediction of xenobiotic metabolism

Johannes Kirchmair (Invited speaker)

19 May 2022

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

In silico prediction of drug metabolism

Johannes Kirchmair (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

Johannes Kirchmair (Speaker)

28 Sep 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

Johannes Kirchmair (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

Johannes Kirchmair (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)

Johannes Kirchmair (Speaker)

27 Jan 2021

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

Department of Pharmaceutical Sciences

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien

T: +43-1-4277-55104

johannes.kirchmair@univie.ac.at