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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 306
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, pp. 103820. 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
Sanz, F, Pognan, F, Steger-Hartmann, T, Díaz, C, Asakura, S, Amberg, A, Bécourt-Lhote, N, Blomberg, N, Bosc, N, Briggs, K, Bringezu, F, Brulle-Wohlhueter, C, Brunak, S, Bueters, R, Callegaro, G, Capella-Gutierrez, S, Centeno, E, Corvi, J, Cronin, MTD, Drew, P, Duchateau-Nguyen, G, Ecker, GF, Escher, S, Felix, E, Ferreiro, M, Frericks, M, Furlong, LI, Geiger, R, George, C, Ivanov-Draganov, D, Kilgour-Christie, J, Kiziloren, T, Kors, JA, Koyama, N, Kreuchwig, A, Leach, AR, Mayer, M-A, Monecke, P, Muster, W, Nakazawa, CM, Nicholson, G, Parry, R, Piñero, J, Oberhauser, N, Ramírez-Anguita, JM, Rodrigo, A, Smajic, A, Schaefer, M, Schieferdecker, S, Soininen, I, Terricabras, E, Trairatphisan, P, Turner, SC, Valencia, A, van de Water, B, van der Lei, JL, van Mulligen, EM, Vock, E & Wilkinson, D 2023, 'eTRANSAFE: data science to empower translational safety assessment', Nature Reviews. Drug Discovery, vol. 22, no. 8, pp. 605-606. https://doi.org/10.1038/d41573-023-00099-5
Activities
Showing entries 16 - 20 out of 201
Triangulation of repurposing candidates for orphan diseases
Jana Gurinova
,
Gerhard Ecker
,
Daniela Digles
Nicht angegeben
Other,
Poster presentation
19.3.2018 - 19.3.2018
In silico Toxicology - from prediction of transporter interaction profiles to toxicological read across and beyond
Gerhard Ecker
Frontiers in Medicinal Chemistry
Conference,
Talk or oral contribution
13.3.2018 - 13.3.2018
Linking open data - from transporter interaction profiles to toxicity prediction
Gerhard Ecker
In Silico IVIVE
Seminar/Workshop,
Talk or oral contribution
20.9.2017 - 20.9.2017
Predicting drug residence time - its all about how long you stay
Gerhard Ecker
Vienna Summer School on Drug Design 2017
Summer/Winter school,
Talk or oral contribution
18.9.2017 - 18.9.2017
Open PHACTS - Exploiting semantically integrated life science data for transporter profiling
Gerhard Ecker
BioMedical Transporters
Conference,
Talk or oral contribution
7.8.2017 - 7.8.2017