Publications, Patents, Books and Book Chapters
Showing entries 1 - 10 out of 279
2026
Juhás, M & Ecker, G 2026, 'A Proteochemometric Model for Ligands of the SLC5 Transporter Family', Archiv der Pharmazie, vol. 359, no. 1, pp. e70183. https://doi.org/10.1002/ardp.70183
2025
Grillberger, K, Magel, V, Leist, M & Ecker, GF 2025, 'Leveraging Consensus Docking Approaches for Human Mitochondrial Complexes I and III', Chemical Research in Toxicology. https://doi.org/10.1021/acs.chemrestox.5c00348
Helmke, PS, Kandler, J, Ilie, S, Gaskin, L & Ecker, GF 2025, 'Data-driven assessment of bioisosteric replacements and their influence on off-target activity profiles', RSC Medicinal Chemistry, vol. 16, no. 12, pp. 6048-6058. https://doi.org/10.1039/d5md00686d
Bloothooft, M, Huang, J, Hamze, M, Houtman, MJC, de Boer, TP, van Hasselt, PM, Ecker, GF, Porcher, C, Medina, I & van der Heyden, MAG 2025, 'Exploring the Cell Biological and Functional Effects of the First Disease Associated KCC1 Genetic Variant', Journal of Cellular Physiology, vol. 240, no. 12, e70124. https://doi.org/10.1002/jcp.70124
Vlasveld, M, van den Berk, L, Piñero, J, Helmke, PS, Ecker, GF, van Rossom, R, Schmidt, BZ, Verfaillie, C, Tassis, K, Callegaro, G, Bouwman, P & van de Water, B 2025, 'A broad kinase inhibitor library live cell imaging screen using liver, kidney and cardiac hiPSC-ICAM1-eGFP reporter lineages identifies liabilities for TNFα pathway modulation', Archives of Toxicology, vol. 100, no. 2, pp. 585-601. https://doi.org/10.1007/s00204-025-04226-6
Cronin, MTD, Basiri, H, Belfield, SJ, Chavan, S, Chrysochoou, G, Enoch, SJ, Firman, JW, Gomatam, A, Hardy, B, Helmke, PS, Madden, JC, Maran, U, March-Vila, E, Nikolov, NG, Pastor, M, Piir, G, Popelier, PLA, Sild, S, Smajić, A, Spînu, N & Wedebye, EB 2025, 'The Findable, Accessible, Interoperable, Reusable (FAIR) Lite Principles to ensure utility of computational toxicology models', Altex. https://doi.org/10.14573/altex.2502021
Krasnov, L, Malikov, D, Kiseleva, M, Tatarin, S, Sosnin, S & Bezzubov, S 2025, 'BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures', Scientific Data, vol. 12, no. 1, 1236. https://doi.org/10.1038/s41597-025-05559-8
Sosnin, S 2025, 'Chemical space visual navigation in the era of deep learning and Big Data', Drug Discovery Today, vol. 30, no. 7, 104392. https://doi.org/10.1016/j.drudis.2025.104392
Helmke, PS & Ecker, GF 2025, 'Refining Drug-Induced Cholestasis Prediction: An Explainable Consensus Model Integrating Chemical and Biological Fingerprints', Journal of Chemical Information and Modeling, vol. 65, no. 11, pp. 5301-5316. https://doi.org/10.1021/acs.jcim.4c02363
Goldmann, U, Wiedmer, T, Garofoli, A, Sedlyarov, V, Bichler, M, Haladik, B, Wolf, G, Christodoulaki, E, Ingles-Prieto, A, Ferrada, E, Frommelt, F, Teoh, ST, Leippe, P, Onea, G, Pfeifer, M, Kohlbrenner, M, Chang, L, Selzer, P, Reinhardt, J, Digles, D, Ecker, GF, Osthushenrich, T, MacNamara, A, Malarstig, A, Hepworth, D & Superti-Furga, G 2025, 'Data- and knowledge-derived functional landscape of human solute carriers', Molecular Systems Biology, vol. 21, no. 6, 33, pp. 599-631. https://doi.org/10.1038/s44320-025-00108-2