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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 186 - 190 out of 202
A binary QSAR model for prediction og hERG potassium channel blockers
Gerhard Ecker
19. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft, Innsbruck 2006
Conference,
Poster presentation
..2006 - ..2006
A flow based hollow-fiber blood-brain barrier in vitro model with immortalised cell line PBMEC/C1-2
Winfried Neuhaus
,
Silvester Ölzant
,
Urs Peter Fringeli
,
Gerhard Ecker
,
Christian Noe
Gordon Research Conference 2006: Barriers of the CNS
Conference,
Poster presentation
..2006 - ..2006
A structural model for ABCG2
Anton Beyer
,
Gerhard Ecker
,
Peter Chiba
,
Sebastian Schmittner
19th International Symposium on Medicinal Chemistry
Conference,
Poster presentation
..2006 - ..2006
Computational 3D elucidation of the human ABC-transporter P-glycoprotein in the post-hydrolytic state
Gerhard Ecker
,
Peter Chiba
19th International Symposium on Medicinal Chemistry
Conference,
Poster presentation
..2006 - ..2006
Drug recognition and transport by the multispecific drug efflux transporter P-glycoprotein
Gerhard Ecker
,
Sandra Pferschy
,
Peter Chiba
,
Stephan Kopp
Gordon Research Conference 2006: Membrane Transport Proteins
Conference,
Poster presentation
..2006 - ..2006