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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 36 - 40 out of 331
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
Brecklinghaus, T, Albrecht, W, Kappenberg, F, Duda, J, Vartak, N, Edlund, K, Marchan, R, Ghallab, A, Cadenas, C, Günther, G, Leist, M, Zhang, M, Gardner, I, Reinders, J, Russel, FGM, Foster, AJ, Williams, DP, Damle-Vartak, A, Grandits, M, Ecker, G, Kittana, N, Rahnenführer, J & Hengstler, JG 2022, 'The hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds', Chemico-Biological Interactions, vol. 351, 109728. https://doi.org/10.1016/j.cbi.2021.109728
Loser, D, Grillberger, K, Hinojosa, MG, Blum, J, Haufe, Y, Danker, T, Johansson, Y, Möller, C, Nicke, A, Bennekou, SH, Gardner, I, Bauch, C, Walker, P, Forsby, A, Ecker, GF, Kraushaar, U & Leist, M 2021, 'Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling', Archives of Toxicology, vol. 95, no. 12, pp. 3695-3716. https://doi.org/10.1007/s00204-021-03168-z
Kickinger, S, Lie, MEK, Suemasa, A, Al-Khawaja, A, Fujiwara, K, Watanabe, M, Wilhelmsen, KS, Falk-Petersen, CB, Frølund, B, Shuto, S, Ecker, GF & Wellendorph, P 2021, 'Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1', Frontiers in Chemistry, vol. 9, 736457. https://doi.org/10.3389/fchem.2021.736457
Projects
Molecular Drug Targets
Hering, S. (Project Lead), Ecker, G. (Co-Lead), Maulide, N. (Co-Lead), Weinzinger, A. (Co-Lead) & Gonzalez Herrero, L. (Co-Lead)
1/12/10 → 31/12/22
Project: Research funding