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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

Induced fit docking into a SERT homology model

Andreas Jurik , Rene Weissensteiner , Subhodeep Sarker , Harald H. Sitte , Michael Freissmuth , Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference, Poster presentation
..2009 - ..2009

Ligand determinants of drug trapping in hERG potassium channels

Andreas Windisch , Andrea Schiesaro , Khac Minh Thai , Evgeny Timin , Annette Hohaus , Gerhard Ecker , Steffen Hering
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference, Poster presentation
..2009 - ..2009

Ligand docking of propafenone derivatives into homology models of P-glycoprotein

Gerhard Ecker , Freya Klepsch , Thomas Stockner , Peter Chiba
238th American Chemical Society National Meeting & Exposition
Conference, Poster presentation
..2009 - ..2009

Ligand docking of propafenones into a homology model of ABCB1

Freya Klepsch , Peter Chiba , Thomas Stockner , Gerhard Ecker
Nicht angegeben
Other, Poster presentation
..2009 - ..2009

Ligand docking of propafenones into ABCB1 utilising FlexX and Glide

Freya Klepsch , Peter Chiba , Gerhard Ecker
7th European Workshop in Drug Design
Seminar/Workshop, Poster presentation
..2009 - ..2009