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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.
Publications
Showing entries 1 - 5 out of 311
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
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics, vol. 43, no. 5, e202300287. https://doi.org/10.1002/minf.202300287
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
Helmke, P, Füzi, B & Ecker, GF 2024, 'Bioactivity descriptors for in vivo toxicity prediction: now and the future', Expert Opinion on Drug Metabolism and Toxicology, vol. 20, no. 7, pp. 541-543. https://doi.org/10.1080/17425255.2024.2334308
Activities
Showing entries 61 - 65 out of 202
Drug Transporters – Structure, Function, and Modulation
Gerhard Ecker
International Workshop on New Approaches in Drug Design & Development
Seminar/Workshop,
Talk or oral contribution
21.3.2012 - 21.3.2012
Knowledge driven ligand design – ligand-based design meets protein structures
Gerhard Ecker
Talk or oral contribution
7.3.2012 - 7.3.2012
Combining Binary QSAR and Docking for Structure-Activity Relationships of Tiagabine Analogs.
Andreas Jurik
,
Regina Reicherstorfer
,
Barbara Zdrazil
,
Gerhard Ecker
19th EuroQSAR
Conference,
Poster presentation
..2012 - ..2012
Combining Ensemble Docking and Consensus Scoring to Elucidate the Binding Mode of Tiagabine Analogs in hGAT-1.
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Stine B. Vogensen
,
Gerhard Ecker
3rd Strasbourg Summer School on Chemoinformatics
Summer/Winter school,
Poster presentation
..2012 - ..2012
Elucidating Binding Events of Tiagabine Analogs by Molecular Dynamics Assisted Docking Studies.
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Gerhard Ecker
5th Annual SFB35 Symposium "Transmembrane Transporters in Health and Disease"
Conference,
Poster presentation
..2012 - ..2012