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Head of Group
Director of Corporate Program

His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.

Sprechstunde für Studierende

  • Montags 13:00 - 14:00 Uhr, Raum 2E405 oder online
  • nur nach Terminvereinbarung: per E-Mail mindestens 3 Tage im Voraus!

Contact Hours for Students

  • Mondays 13:00 - 14:00, Room 2E405 or online
  • only by appointment: arrange via E-Mail at least 3 days in advance!

Ackloo, S, Al-awar, R, Amaro, RE, Arrowsmith, CH, Azevedo, H, Batey, RA, Bengio, Y, Betz, UAK, Bologa, CG, Chodera, JD, Cornell, WD, Dunham, I, Ecker, GF, Edfeldt, K, Edwards, AM, Gilson, MK, Gordijo, CR, Hessler, G, Hillisch, A, Hogner, A, Irwin, JJ, Jansen, JM, Kuhn, D, Leach, AR, Lee, AA, Lessel, U, Morgan, MR, Moult, J, Muegge, I, Oprea, T, Perry, BG, Riley, P, Rousseaux, SAL, Saikatendu, KS, Santhakumar, V, Schapira, M, Scholten, C, Todd, MH, Vedadi, M, Volkamer, A & Willson, TM 2022, 'CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding', Nature reviews chemistry, vol. 6, no. 4, pp. 287-295.

Brecklinghaus, T, Albrecht, W, Kappenberg, F, Duda, J, Vartak, N, Edlund, K, Marchan, R, Ghallab, A, Cadenas, C, Günther, G, Leist, M, Zhang, M, Gardner, I, Reinders, J, Russel, FGM, Foster, AJ, Williams, DP, Damle-Vartak, A, Grandits, M, Ecker, G, Kittana, N, Rahnenführer, J & Hengstler, JG 2022, 'The hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds', Chemico-Biological Interactions, vol. 351, 109728.

Loser, D, Grillberger, K, Hinojosa, MG, Blum, J, Haufe, Y, Danker, T, Johansson, Y, Möller, C, Nicke, A, Bennekou, SH, Gardner, I, Bauch, C, Walker, P, Forsby, A, Ecker, GF, Kraushaar, U & Leist, M 2021, 'Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling', Archives of Toxicology, vol. 95, no. 12, pp. 3695-3716.

Kickinger, S, Lie, MEK, Suemasa, A, Al-Khawaja, A, Fujiwara, K, Watanabe, M, Wilhelmsen, KS, Falk-Petersen, CB, Frølund, B, Shuto, S, Ecker, GF & Wellendorph, P 2021, 'Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1', Frontiers in Chemistry, vol. 9, 736457.

Loser, D, Hinojosa, MG, Blum, J, Schaefer, J, Brüll, M, Johansson, Y, Suciu, I, Grillberger, K, Danker, T, Möller, C, Gardner, I, Ecker, GF, Bennekou, SH, Forsby, A, Kraushaar, U & Leist, M 2021, 'Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neurons', Archives of Toxicology, vol. 95, no. 6, pp. 2081-2107.


Showing entries 1 - 5 out of 201

Predicting chemicals' Molecular Initiating Events (MIEs) based on protein structure

Gerhard Ecker
ASPIS Open Symposium
Conference, Talk or oral contribution
25.11.2022 - 25.11.2022

Structure-based prediction of molecular initiating events - where are we?

Gerhard Ecker
3rd In silico Toxicology Conference 2022
Conference, Talk or oral contribution
29.9.2022 - 29.9.2022

Transporter Informatics and Computational Toxicology - from QSAR to Machine Learning and beyond

Gerhard Ecker
Advanced summer School in Drug Research and Development
Summer/Winter school, Talk or oral contribution
7.9.2022 - 7.9.2022

Hypothesis generation for variant effects using a KNIME workflow for ​ automatic mapping of disease-related mutations onto 3D protein structures​

Jiahui Huang , Claire Colas , Gerhard Ecker
ACS Fall 2022
Conference, Poster presentation
21.8.2022 - 21.8.2022

Wie lassen sich Elternschaft und Wissenschaft vereinbaren?

Veronika Wöhrer , Gerhard Ecker , Therese Garstenauer , Benjamin Herr , Alice Leal
Wie lassen sich Elternschaft und Wissenschaft an der Universität Wien vereinbaren?
Panel discussion, round table, Talk or oral contribution
13.6.2022 - 13.6.2022