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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 307
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics. https://doi.org/10.1002/minf.202300287
Smajić, A, Grandits, M & Ecker, GF 2023, 'Privacy-preserving techniques for decentralized and secure machine learning in drug discovery', Drug Discovery Today, vol. 28, no. 12, 103820, pp. 1-8. https://doi.org/10.1016/j.drudis.2023.103820
Grillberger, K, Cöllen, E, Trivisani, CI, Blum, J, Leist, M & Ecker, G 2023, 'Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging', International Journal of Molecular Sciences, vol. 24, no. 17, 13170. https://doi.org/10.3390/ijms241713170
Smajić, A, Rami, I, Sosnin, S & Ecker, GF 2023, 'Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets', Chemical Research in Toxicology, vol. 36, no. 8, pp. 1300-1312. https://doi.org/10.1021/acs.chemrestox.3c00042
Dvorak, V, Casiraghi, A, Colas, C, Koren, A, Tomek, T, Offensperger, F, Rukavina, A, Tin, G, Hahn, E, Dobner, S, Frommelt, F, Boeszoermenyi, A, Bernada, V, Hannich, JT, Ecker, GF, Winter, GE, Kubicek, S & Superti-Furga, G 2023, 'Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors', Cell Chemical Biology, vol. 30, no. 8, pp. 953-964.e9. https://doi.org/10.1016/j.chembiol.2023.06.029
Activities
Showing entries 66 - 70 out of 202
Interaction Profiling of Mephedrone at the Human Serotonin and Dopamine Transporters.
Amir Seddik
,
Rene Weissensteiner
,
Barbara Zdrazil
,
Harald H. Sitte
,
Gerhard Ecker
22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Conference,
Poster presentation
..2012 - ..2012
Search for Common Pharmacophore Patterns of TRPV1 Antagonists.
Daria Tsareva
,
Gerhard Ecker
22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Conference,
Poster presentation
..2012 - ..2012
Studying Structure-Activity Relationships in a Homology Model of the Gamma-Aminobutyric Acid Transporter 1.
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Stine B. Vogensen
,
Gerhard Ecker
22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Conference,
Poster presentation
..2012 - ..2012
Synthesis and Biological Evaluation.
Rita Fürst
,
Christina Nowikow
,
Agnes Berenyi
,
Gerhard Ecker
,
Walther Schmid
,
Istvan Zupko
,
Uwe Rinner
22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Conference,
Poster presentation
..2012 - ..2012
Valerenic Acid as a Model Compound for New GABAA Receptor Ligands.
Maximilian Haider
,
Gerhard Ecker
,
Steffen Hering
,
Marko Mihovilovic
22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Conference,
Poster presentation
..2012 - ..2012