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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 71 - 75 out of 202
Classification of an Imbalanced Dataset of P-Glycoprotein Substrates and Non-substrates using Cost-Sensitive Machine Learning Methods.
Yogesh Aher
,
Vasanthanathan Poongavanam
,
Gerhard Ecker
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference,
Poster presentation
..2011 - ..2011
Evaluation of Drug Binding Modes in a Series of Homology Models of the Gamma-Aminobutyric Acid Transporter.
Andreas Jurik
,
Regina Reicherstorfer
,
Barbara Zdrazil
,
Ernst Urban
,
Gerhard Ecker
8th European Workshop in Drug Design
Seminar/Workshop,
Poster presentation
..2011 - ..2011
Exhaustive docking protocol with SAR-based pose selection.
Freya Klepsch
,
Gerhard Ecker
241st American Chemical Society National Meeting & Exposition (ACS 2011)
Conference,
Poster presentation
..2011 - ..2011
In silico prediction of ABCC2 substrate specificity.
Marta Pinto
,
Gerhard Ecker
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference,
Poster presentation
..2011 - ..2011
Insights into Molecular Interactions between the Serotonin Transporter and Tricyclic Antidepressants.
Rene Weissensteiner
,
Barbara Zdrazil
,
Subhodeep Sarker
,
Harald H. Sitte
,
Michael Freissmuth
,
Sonja Sucic
,
Gerhard Ecker
8th European Workshop in Drug Design
Seminar/Workshop,
Poster presentation
..2011 - ..2011