Follow me on Twitter
I agree that content from Twitter will be displayed to me.
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 101 - 105 out of 202
In silico models for classification of ABC-transporter substrates to improve ADMET profiling
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Talk or oral contribution
27.6.2009 - 27.6.2009
Pharmacoinformatics – combining experimental pharmaceutical sciences with in silico methods
Gerhard Ecker
2nd Pharmaceutical Sciences Fair and Exhibition -
Other,
Talk or oral contribution
9.6.2009 - 9.6.2009
Predicting substrate properties for ABC-Transporter - Safety Sciences on the molecular level
Gerhard Ecker
27th Noordwijkerhout-Camerino-Cyprus Symposium: Trends in Drug Research
Conference,
Talk or oral contribution
7.5.2009 - 7.5.2009
SIBAR descriptors and support vector machines for ABCB1 substrate prediction
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Talk or oral contribution
16.4.2009 - 16.4.2009
Predicting Ligands of ABC-transporter - a long way to go
Gerhard Ecker
Talk or oral contribution
13.3.2009 - 13.3.2009