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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.

Contact Hours for Students

  • Wednesday 14:00 - 15:00
  • Room 2E405 (or online) 
  • only after appointment via E-Mail latest on Friday before
Publications

Blaschke, M, McKinnon, R, Nguyen, CH, Holzner, S, Zehl, M, Atanasov, AG, Schelch, K, Krieger, S, Diaz, R, Frisch, R, Feistel, B, Jäger, W, Ecker, GF, Dirsch, VM, Grusch, M, Zupko, I, Urban, E, Kopp, B & Krupitza, G 2015, 'A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro', Mutation Research: fundamental and molecular mechanisms of mutagenesis, vol. 777, pp. 79-90. https://doi.org/10.1016/j.mrfmmm.2015.04.011

Richter, L & Ecker, GF 2015, 'Medicinal chemistry in the era of big data', Drug Discovery Today: Technologies, vol. 14, pp. 37-41. https://doi.org/10.1016/j.ddtec.2015.06.001

Sanz, F, Carriõ, P, Lõpez, O, Capoferri, L, Kooi, DP, Vermeulen, NPE, Geerke, DP, Montanari, F, Ecker, GF, Schwab, CH, Kleinöder, T, Magdziarz, T & Pastor, M 2015, 'Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project', Molecular Informatics, vol. 34, no. 6-7, pp. 477-484. https://doi.org/10.1002/minf.201400193

Vogensen, SB, Lars, J, Madsen, KK, Jurik, A, Borkar, N, Rosatelli, E, Nielsen, B, Ecker, G, Schousboe, A & Clausen, RP 2015, 'Structure Activity Relationship of selective GABA uptake inhibitors', Bioorganic & Medicinal Chemistry, vol. 23, no. 10, pp. 2480-2488. https://doi.org/10.1016/j.bmc.2015.03.060

Activities

Showing entries 1 - 5 out of 207

AI in Drug Discovery and Toxicity Prediction

Gerhard Ecker
ARUA 2025
Conference, Talk or oral contribution
30.10.2025 - 30.10.2025

In silico MIE Prediction

Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference, Talk or oral contribution
18.6.2025 - 18.6.2025

Prediction of Toxicity

Gerhard Ecker
CCC-Trio 2025
Conference, Talk or oral contribution
12.6.2025 - 12.6.2025

Prediction of Toxicity - let's use Fingerprints

Gerhard Ecker
OpenTox Virtual Conference 2024
Conference, Talk or oral contribution
29.11.2024 - 29.11.2024

In silica prediction of toxicity - from QSAR models to biological fingerprinting

Gerhard Ecker
AAPR 23 - patterns in one health
Conference, Talk or oral contribution
25.10.2023 - 25.10.2023