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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 76 - 80 out of 202
Insights into the binding mode of propafenone type P-gp inhibitors.
Freya Klepsch
,
Ruben Vosmeer
,
Daan Geerke
,
Chris Oostenbrink
,
Gerhard Ecker
241st American Chemical Society National Meeting & Exposition (ACS 2011)
Conference,
Poster presentation
..2011 - ..2011
Ligand based screening for insulin mimetic compounds.
Daniela Digles
,
Elke Heiß
,
Verena Dirsch
,
Gerhard Ecker
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference,
Poster presentation
..2011 - ..2011
Ligand-Based Classification Model for Imbalanced Dataset of P-Glycoprotein Substrates and Non-Substrates.
Yogesh Aher
,
Vasanthanathan Poongavanam
,
Gerhard Ecker
8th European Workshop in Drug Design
Seminar/Workshop,
Poster presentation
..2011 - ..2011
Machine Learning and Pharmacophore-Based Models as an Efficient Virtual Screening Tool for Identification of P-Glycoprotein Inhibitors
Norbert Haider
,
Gerhard Ecker
,
Yogesh Aher
,
Vasanthanathan Poongavanam
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference,
Poster presentation
..2011 - ..2011
Molecular Dynamics - Assisted Comparative Modeling and Docking Studies of the Gamma-Aminobutyric Acid Transporter
Andreas Jurik
,
Barbara Zdrazil
,
Regina Reicherstorfer
,
Harald H. Sitte
,
Gerhard Ecker
4th Annual SFB Symposium "Transmembrane Transporters in Health and Disease"
Conference,
Poster presentation
..2011 - ..2011