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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 21 - 25 out of 316
Naga, D, Parrott, N, Ecker, GF & Olivares-Morales, A 2022, 'Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery', Molecular Pharmaceutics, vol. 19, no. 7, pp. 2203-2216. https://doi.org/10.1021/acs.molpharmaceut.2c00040
Decker, S, Taschauer, A, Geppl, E, Pirhofer, V, Schauer, M, Pöschl, S, Kopp, F, Richter, L, Ecker, GF, Sami, H & Ogris, M 2022, 'Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery', European Journal of Pharmaceutics and Biopharmaceutics, vol. 176, pp. 211-221. https://doi.org/10.1016/j.ejpb.2022.05.004
Füzi, B, Malik-Sheriff, RS, Manners, EJ, Hermjakob, H & Ecker, GF 2022, 'KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study', Journal of Cheminformatics, vol. 14, no. 1, 37. https://doi.org/10.1186/s13321-022-00615-6
Naga, D, Muster, W, Musvasva, E & Ecker, GF 2022, 'Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules', Journal of Cheminformatics, vol. 14, no. 1, 27. https://doi.org/10.1186/s13321-022-00603-w
Ackloo, S, Al-awar, R, Amaro, RE, Arrowsmith, CH, Azevedo, H, Batey, RA, Bengio, Y, Betz, UAK, Bologa, CG, Chodera, JD, Cornell, WD, Dunham, I, Ecker, GF, Edfeldt, K, Edwards, AM, Gilson, MK, Gordijo, CR, Hessler, G, Hillisch, A, Hogner, A, Irwin, JJ, Jansen, JM, Kuhn, D, Leach, AR, Lee, AA, Lessel, U, Morgan, MR, Moult, J, Muegge, I, Oprea, T, Perry, BG, Riley, P, Rousseaux, SAL, Saikatendu, KS, Santhakumar, V, Schapira, M, Scholten, C, Todd, MH, Vedadi, M, Volkamer, A & Willson, TM 2022, 'CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding', Nature reviews chemistry, vol. 6, no. 4, pp. 287-295. https://doi.org/10.1038/s41570-022-00363-z
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