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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 66 - 70 out of 314
Jain, S, Kotsampasakou, E & Ecker, GF 2018, 'Comparing the performance of meta-classifiers-a case study on selected imbalanced data sets relevant for prediction of liver toxicity', Journal of Computer-Aided Molecular Design, vol. 32, no. 5, pp. 583-590. https://doi.org/10.1007/s10822-018-0116-z
Singh, N & Ecker, GF 2018, 'Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1', International Journal of Molecular Sciences, vol. 19, no. 5, 1278. https://doi.org/10.3390/ijms19051278
Ishoey, M, Chorn, S, Singh, N, Jaeger, MG, Brand, M, Paulk, J, Bauer, S, Erb, MA, Parapatics, K, Müller, AC, Bennett, KL, Ecker, GF, Bradner, JE & Winter, GE 2018, 'Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders', ACS Chemical Biology, vol. 13, no. 3, pp. 553-560. https://doi.org/10.1021/acschembio.7b00969
Kotsampasakou, E, Jain, S, Digles, D & Ecker, GF 2018, Transporters in Hepatotoxicity. in Computational Toxicology: Risk Assessment for Chemicals. Wiley, pp. 145-174. https://doi.org/10.1002/9781119282594.ch6
Sanz, F, Pognan, F, Steger-Hartmann, T, Díaz, C, Cases, M, Pastor, M, Marc, P, Wichard, J, Briggs, K, Watson, DK, Kleinöder, T, Yang, C, Amberg, A, Beaumont, M, Brookes, AJ, Brunak, S, Cronin, MTD, Ecker, GF, Escher, S, Greene, N, Guzmán, A, Hersey, A, Jacques, P, Lammens, L, Mestres, J, Muster, W, Northeved, H, Pinches, M, Saiz, J, Sajot, N, Valencia, A, van der Lei, J, Vermeulen, NPE, Vock, E, Wolber, G & Zamora, I 2017, 'Legacy data sharing to improve drug safety assessment: the eTOX project', Nature Reviews. Drug Discovery, vol. 16, no. 12, pp. 811-812. https://doi.org/10.1038/nrd.2017.177
Activities
Showing entries 1 - 5 out of 203
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
Predicting chemicals' Molecular Initiating Events (MIEs) based on protein structure
Gerhard Ecker
ASPIS Open Symposium
Conference,
Talk or oral contribution
25.11.2022 - 25.11.2022
Structure-based prediction of molecular initiating events - where are we?
Gerhard Ecker
3rd In silico Toxicology Conference 2022
Conference,
Talk or oral contribution
29.9.2022 - 29.9.2022
Transporter Informatics and Computational Toxicology - from QSAR to Machine Learning and beyond
Gerhard Ecker
Advanced summer School in Drug Research and Development
Summer/Winter school,
Talk or oral contribution
7.9.2022 - 7.9.2022