Publications, Patents, Books and Book Chapters
Showing entries 31 - 40 out of 255
2020
Hemmerich, J & Ecker, GF 2020, 'In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways', Wiley Interdisciplinary Reviews. Computational Molecular Science, vol. 10, no. 4, e1475. https://doi.org/10.1002/wcms.1475
Troger, F, Delp, J, Funke, M, van der Stel, W, Colas, C, Leist, M, van de Water, B & Ecker, GF 2020, 'Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway', Computational Toxicology, vol. 14, 100123, pp. 100123. https://doi.org/10.1016/j.comtox.2020.100123
Hemmerich, J, Troger, F, Fuezi, B & Ecker, GF 2020, 'Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity', Molecular Informatics, vol. 39, no. 5, 2000005. https://doi.org/10.1002/minf.202000005
Colas, C, Banci, G, Martini, R & Ecker, G 2020, 'Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models', Scientific Reports, vol. 10, no. 1, 6241. https://doi.org/10.1038/s41598-020-63189-z
Superti-Furga, G, Lackner, D, Wiedmer, T, Ingles-Prieto, A, RESOLUTE consortium & Steppan, C 2020, 'The RESOLUTE consortium: unlocking SLC transporters for drug discovery', Nature Reviews. Drug Discovery, vol. 19, no. 7, pp. 429-430. https://doi.org/10.1038/d41573-020-00056-6
Lie, MEK, Kickinger, S, Skovgaard-Petersen, J, Ecker, GF, Clausen, RP, Schousboe, A, White, HS & Wellendorph, P 2020, 'Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects', Neurochemical research, vol. 45, 1551–1565, pp. 1551-1565. https://doi.org/10.1007/s11064-020-03017-y
Girardi, E, César-Razquin, A, Lindinger, S, Papakostas, K, Konecka, J, Hemmerich, J, Kickinger, S, Kartnig, F, Gürtl, B, Klavins, K, Sedlyarov, V, Ingles-Prieto, A, Fiume, G, Koren, A, Lardeau, C-H, Kumaran Kandasamy, R, Kubicek, S, Ecker, GF & Superti-Furga, G 2020, 'A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs', Nature Chemical Biology, vol. 16, no. 4, pp. 469–478. https://doi.org/10.1038/s41589-020-0483-3
Asilar, E, Hemmerich, J & Ecker, GF 2020, 'Image Based Liver Toxicity Prediction', Journal of Chemical Information and Modeling, vol. 60, no. 3, pp. 1111-1121. https://doi.org/10.1021/acs.jcim.9b00713
Hemmerich, J, Asilar, E & Ecker, GF 2020, 'COVER: conformational oversampling as data augmentation for molecules', Journal of Cheminformatics, vol. 12, 18. https://doi.org/10.1186/s13321-020-00420-z
Cseke, A, Schwarz, T, Jain, S, Decker, S, Vogl, K, Urban, E & Ecker, G 2020, 'Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein', Archiv der Pharmazie, vol. 353, no. 3, 1900269. https://doi.org/10.1002/ardp.201900269
Showing entries 31 - 40 out of 255