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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 91 - 95 out of 202
Ligand based screening tools for identification of insulin receptor activating compounds.
Daniela Digles
,
Verena Dirsch
,
Gerhard Ecker
239th ACS National Meeting
Conference,
Poster presentation
..2010 - ..2010
QSAR, ligand efficiency (LE) and lipophilic efficiency (LipE) studies of a series of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.
Ishrat Jabeen
,
Zahida Parveen
,
Uwe Rinner
,
Peter Chiba
,
Gerhard Ecker
240th American Chemical Society National Meeting & Exposition
Conference,
Poster presentation
..2010 - ..2010
QSAR, ligand efficiency (LE) and lipophilic efficiency (LipE) studies of a series of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.
Ishrat Jabeen
,
Zahida Parveen
,
Uwe Rinner
,
Peter Chiba
,
Gerhard Ecker
3rd SFB35 Symposium 2010
Conference,
Poster presentation
..2010 - ..2010
Stereoselective interaction of benzopyrano[3,4-b][1,4]oxazines with p-glycoprotein.
Ishrat Jabeen
,
Penpun Wetwitayaklung
,
Freya Klepsch
,
Peter Chiba
,
Gerhard Ecker
18th European Symposium on Quantitative Structure-Activity Relationships
Conference,
Poster presentation
..2010 - ..2010
Synthesis and biological evaluation of novel carbocycle-containing combretastatin A-4 analogs
Rita Fürst
,
Christina Nowikow
,
Agnes Berenyi
,
Gerhard Ecker
,
Walther Schmid
,
Istvan Zupko
,
Uwe Rinner
240th American Chemical Society National Meeting & Exposition
Conference,
Poster presentation
..2010 - ..2010