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 171 - 175 out of 202
Classification of P-glycoprotein-substrates using similarity based descriptors
Rita Schwaha
,
Michael Demel
,
Dominik Kaiser
,
Gerhard Ecker
Jahrestagung 2007 der Deutschen Pharmazeutischen Gesellschaft (DPhG)
Conference,
Poster presentation
..2007 - ..2007
NCI60 screening data - a versatile tool for in silico models predicting substrate properties for ABC-transporter
Barbara Zdrazil
,
Gerhard Ecker
234th ACS National Meeting
Conference,
Poster presentation
..2007 - ..2007
Von Penicillin bis Viagra : Arzneistoffentwicklung gestern - heute - morgen
Gerhard Ecker
Talk or oral contribution
23.11.2006 - 23.11.2006
Von Penicillin bis Viagra : Arzneistoffentwicklung gestern - heute - morgen
Gerhard Ecker
Talk or oral contribution
22.11.2006 - 22.11.2006
In silico methods for hit identification and prediction of biological activities
Gerhard Ecker
Talk or oral contribution
16.11.2006 - 16.11.2006