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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

Classification of ABCB1 substrates using similarity based descriptors

Rita Schwaha , Gerhard Ecker
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference, Poster presentation
..2008 - ..2008

Classification of insulin receptor activators with self-organising maps

Daniela Digles , Gerhard Ecker , Verena Dirsch
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference, Poster presentation
..2008 - ..2008

Comparison of contenmporary feature selection algorithms: application to the classification of substrates for ABC-transporter

Andreas Janecek , Michael Demel , Gerhard Ecker , Wilfried Gansterer , Oliver Krämer , Eric Haaksma , Peter Ettmayer
17th European Symposium on Quantitative Structure-Activity Relationships & Omics Technologies and Systems Biology
Conference, Poster presentation
..2008 - ..2008

Docking studies on hERG potassium channels - trapping of propafenone derivatives

Evgeny Timin , Steffen Hering , Andrea Schiesaro , Gerhard Ecker , Andreas Windisch
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference, Poster presentation
..2008 - ..2008

Experimental data guided ligand docking - a tool for elucidating the binding mode of benzodiazepines

Gerhard Ecker , Lars Richter , Margot Ernst , Erwin Sigel , Werner Sieghart
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference, Poster presentation
..2008 - ..2008