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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

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

Jorgensen, L, Al-Khawaja, A, Kickinger, S, Vogensen, SB, Skovgaard-Petersen, J, Rosenthal, E, Borkar, N, Loffler, R, Madsen, KK, Brauner-Osbome, H, Schousboe, A, Ecker, GF, Wellendorph, P & Causen, RP 2017, 'Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1)', Journal of Medicinal Chemistry, vol. 60, no. 21, pp. 8834-8846. https://doi.org/10.1021/acs.jmedchem.7b00924

Leist, M, Ghallab, A, Graepel, R, Marchan, R, Hassan, R, Bennekou, SH, Limonciel, A, Vinken, M, Schildknecht, S, Waldmann, T, Danen, E, van Ravenzwaay, B, Kamp, H, Gardner, I, Godoy, P, Bois, FY, Braeuning, A, Reif, R, Oesch, F, Drasdo, D, Höhme, S, Schwarz, M, Hartung, T, Braunbeck, T, Beltman, J, Vrieling, H, Sanz, F, Forsby, A, Gadaleta, D, Fisher, C, Kelm, J, Fluri, D, Ecker, G, Zdrazil, B, Terron, A, Jennings, P, van der Burg, B, Dooley, S, Meijer, AH, Willighagen, E, Martens, M, Evelo, C, Mombelli, E, Taboureau, O, Mantovani, A, Hardy, B, Koch, B, Escher, S, van Thriel, C, Cadenas, C, Kroese, D, van de Water, B & Hengstler, JG 2017, 'Adverse outcome pathways: opportunities, limitations and open questions', Archives of Toxicology, vol. 91, no. 11, pp. 3477–3505. https://doi.org/10.1007/s00204-017-2045-3

Activities

Showing entries 1 - 5 out of 202

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

Hypothesis generation for variant effects using a KNIME workflow for ​ automatic mapping of disease-related mutations onto 3D protein structures​

Jiahui Huang , Claire Colas , Gerhard Ecker
ACS Fall 2022
Conference, Poster presentation
21.8.2022 - 21.8.2022