Follow me on Twitter
I agree that content from Twitter will be displayed to me.
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 61 - 65 out of 316
Siebert, DCB, Wieder, M, Schlener, L, Scholze, P, Boresch, S, Langer, T, Schnürch, M, Mihovilovic, MD, Richter, L, Ernst, M & Ecker, G 2018, 'SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site', Journal of Chemical Information and Modeling, vol. 58, no. 8, pp. 1682-1696. https://doi.org/10.1021/acs.jcim.8b00199
Ecker, G, Troger, F, Jain, S & Zdrazil, B 2018, 'Inhibitors of the mitochondrial respiratory complex - Structure-based prediction of toxicity', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 256.
Zdrazil, B, Jain, S, Klinting, S, Escher, S, Ecker, G & Norinder, U 2018, 'Machine learning models for predicting hepatic steatosis based on in vivo data', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 256.
Ecker, G, Knasmueller, B, Neckam, B, Grandits, M & Dangl, A 2018, 'ToxPHACTS - Data driven decision support for toxicologists', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 256.
Schuetz, DA, Richter, L, Amaral, M, Grandits, M, Graedler, U, Musil, D, Buchstaller, H-P, Eggenweiler, H-M, Frech, M & Ecker, GF 2018, 'Ligand Desolvation steers on-rate and impacts Drug Residence Time of Heat shock protein 90 (Hsp90) Inhibitors', Journal of Medicinal Chemistry, vol. 61, no. 10, pp. 4397–4411. https://doi.org/10.1021/acs.jmedchem.8b00080
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