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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 51 - 55 out of 202
Arzneistoffentwicklung am Computer - Fact or Fiction?
Gerhard Ecker
46. Wissenschaftliche Fortbildungswoche für ApthekerInnen
Conference,
Talk or oral contribution
8.3.2013 - 8.3.2013
Pharmacoinformatics - from data integration to in silico screening
Gerhard Ecker
3rd Austrodrug Meeting
Conference,
Talk or oral contribution
1.3.2013 - 1.3.2013
New scaffolds for an old target pharmacophore screening for novel GAT-1 inhibitors
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Gerhard Ecker
6th Annual SFB35 Symposium "Membrane Transporters in Health and Disease""
Conference,
Poster presentation
..2013 - ..2013
Prediction of high-affinity SERT substrates by 2D-QSAR
Amir Seddik
,
Barbara Zdrazil
,
Thomas Stockner
,
Simon Bulling
,
Andreas Tulzer
,
Thomas Steinkellner
,
Walter Sandtner
,
Michael Freissmuth
,
Harald H. Sitte
,
Gerhard Ecker
Nicht angegeben
Other,
Poster presentation
..2013 - ..2013
Probing the Substrate Selectivity of Monoamine Transporters
Amir Seddik
,
Marion Holy
,
Harald H. Sitte
,
Gerhard Ecker
,
Barbara Zdrazil
Nicht angegeben
Other,
Poster presentation
..2013 - ..2013