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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 116 - 120 out of 202
GRIND, CoMFA and CoMSIA studies of benzopyran type inhibitors of P-glycoprotein
Ishrat Jabeen
,
Peter Chiba
,
Gerhard Ecker
Frontiers in Medicinal Chemistry: Emerging Targets, Novel Candidates and Innovative Strategies
Conference,
Poster presentation
..2009 - ..2009
High-throughput calculations of ligand-protein docking with condor@univie a web-based distributed computing portal.
Yogesh Aher
,
Gerald Stampfel
,
Michael Demel
,
Thomas Stockner
,
Wilfried Gansterer
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009
Identification of privileged atom-types in substrates of the ABC-transporter ABCB1 (P-gp) by random forest classification
Michael Demel
,
Oliver Krämer
,
Peter Ettmayer
,
Eric Haaksma
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
In silico screening for insulin receptor activating compounds
Daniela Digles
,
Verena Dirsch
,
Gerhard Ecker
7th European Workshop in Drug Design
Seminar/Workshop,
Poster presentation
..2009 - ..2009
Induced fit docking into a homology model of hSERT
Andreas Jurik
,
Rene Weissensteiner
,
Subhodeep Sarker
,
Harald H. Sitte
,
Michael Freissmuth
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009