Publications, Patents, Books and Book Chapters
Showing entries 1 - 10 out of 284
2026
Ćerimagić, T, Sosnin, S & Ecker, GF 2026, 'A multi-task learning approach for prediction of missing bioactivity values of compounds for the SLC transporter superfamily', Digital Discovery, vol. 5, no. 2, pp. 878-890. https://doi.org/10.1039/d5dd00536a
Grillberger, K, Magel, V, Leist, M & Ecker, GF 2026, 'Leveraging Consensus Docking Approaches for Human Mitochondrial Complexes I and III', Chemical Research in Toxicology, vol. 39, no. 1, pp. 79-94. https://doi.org/10.1021/acs.chemrestox.5c00348
Juhás, M & Ecker, G 2026, 'A Proteochemometric Model for Ligands of the SLC5 Transporter Family', Archiv der Pharmazie, vol. 359, no. 1, e70183, pp. 1-15. https://doi.org/10.1002/ardp.70183
Kandler, J, Kantarçeken, AS, Smajić, A & Ecker, GF 2026, 'Combined Modeling Approaches for Assessing Sodium-Iodide Symporter Inhibition', Journal of Chemical Information and Modeling, vol. 66, no. 3, pp. 1688-1703. https://doi.org/10.1021/acs.jcim.5c02855
2025
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