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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.

Sprechstunde für Studierende

  • Montags 13:00 - 14:00 Uhr, Raum 2E405 oder online
  • nur nach Terminvereinbarung: per E-Mail mindestens 3 Tage im Voraus!

Contact Hours for Students

  • Mondays 13:00 - 14:00, Room 2E405 or online
  • only by appointment: arrange via E-Mail at least 3 days in advance!
Publications

Showing entries 1 - 5 out of 306
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

Upsampling of Molecules to create datasets large enough for Deep learning in toxicity prediction

Jennifer Hemmerich , Ece Asilar , Gerhard Ecker
German Conference on Chemoinformatics
Conference, Talk or oral contribution
12.11.2018 - 12.11.2018

DEEPHUNT: HEPATOTOXICITY USING NEURAL NETWORKS.

Ece Asilar , Jennifer Hemmerich , Gerhard Ecker
22nd EuroQSAR
Conference, Talk or oral contribution
20.9.2018 - 20.9.2018

Exploring the use of neural networks for prediction of toxicities

Jennifer Hemmerich , Ece Asilar , Gerhard Ecker
Advanced Course on Data Science & Machine Learning
Summer/Winter school, Talk or oral contribution
21.7.2018 - 21.7.2018

Predicting ligand residence time - it's all about how long you stay

Gerhard Ecker
European School of Medicinal Chemistry
Summer/Winter school, Talk or oral contribution
4.7.2018 - 4.7.2018

Leveraging integrated life science data – the power of workflows

Gerhard Ecker
255th ACS National Meeting and Exhibition
Conference, Talk or oral contribution
19.3.2018 - 19.3.2018