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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.

Contact Hours for Students

  • Wednesday 14:00 - 15:00
  • Room 2E405 (or online) 
  • only after appointment via E-Mail latest on Friday before
Publications

Showing entries 1 - 5 out of 312
Digles, D, Ingles-Prieto, A, Dvorak, V, Mocking, TAM, Goldmann, U, Garofoli, A, Homan, EJ, Di Silvio, A, Azzollini, L, Sassone, F, Fogazza, M, Bärenz, F, Pommereau, A, Zuschlag, Y, Ooms, JF, Tranberg-Jensen, J, Hansen, JS, Stanka, J, Sijben, HJ, Batoulis, H, Bender, E, Martini, R, IJzerman, AP, Sauer, DB, Heitman, LH, Manolova, V, Reinhardt, J, Ehrmann, A, Leippe, P, Ecker, GF, Huber, KVM, Licher, T, Scarabottolo, L, Wiedmer, T & Superti-Furga, G 2024, 'Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily', Frontiers in Pharmacology, vol. 15, 1401599. https://doi.org/10.3389/fphar.2024.1401599

Huang, J, Osthushenrich, T, MacNamara, A, Mälarstig, A, Brocchetti, S, Bradberry, S, Scarabottolo, L, Ferrada, E, Sosnin, S, Digles, D, Superti-Furga, G & Ecker, GF 2024, 'ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction', Rsc advances, vol. 14, no. 19, 00748, pp. 13083-13094. https://doi.org/10.1039/d4ra00748d

Ferrada, E, Wiedmer, T, Wang, WA, Frommelt, F, Steurer, B, Klimek, C, Lindinger, S, Osthushenrich, T, Garofoli, A, Brocchetti, S, Bradberry, S, Huang, J, MacNamara, A, Scarabottolo, L, Ecker, GF, Malarstig, A & Superti-Furga, G 2024, 'Experimental and Computational Analysis of Newly Identified Pathogenic Mutations in the Creatine Transporter SLC6A8', Journal of Molecular Biology, vol. 436, no. 2, 168383. https://doi.org/10.1016/j.jmb.2023.168383

Activities

Insights into the binding mode of propafenone type P-gp inhibitors.

Freya Klepsch , Ruben Vosmeer , Daan Geerke , Chris Oostenbrink , Gerhard Ecker
241st American Chemical Society National Meeting & Exposition (ACS 2011)
Conference, Poster presentation
..2011 - ..2011

Ligand based screening for insulin mimetic compounds.

Daniela Digles , Elke Heiß , Verena Dirsch , Gerhard Ecker
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference, Poster presentation
..2011 - ..2011

Ligand-Based Classification Model for Imbalanced Dataset of P-Glycoprotein Substrates and Non-Substrates.

Yogesh Aher , Vasanthanathan Poongavanam , Gerhard Ecker
8th European Workshop in Drug Design
Seminar/Workshop, Poster presentation
..2011 - ..2011

Machine Learning and Pharmacophore-Based Models as an Efficient Virtual Screening Tool for Identification of P-Glycoprotein Inhibitors

Norbert Haider , Gerhard Ecker , Yogesh Aher , Vasanthanathan Poongavanam
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference, Poster presentation
..2011 - ..2011

Molecular Dynamics - Assisted Comparative Modeling and Docking Studies of the Gamma-Aminobutyric Acid Transporter

Andreas Jurik , Barbara Zdrazil , Regina Reicherstorfer , Harald H. Sitte , Gerhard Ecker
4th Annual SFB Symposium "Transmembrane Transporters in Health and Disease"
Conference, Poster presentation
..2011 - ..2011