Publications, Patents, Books and Book Chapters
Showing entries 11 - 20 out of 265
2024
Ferrada, E, Wiedmer, T, Wang, WA, Frommelt, F, Steurer, B, Klimek, C, Lindinger, S, Osthushenrich, T, Garofoli, A, Brocchetti, S, Bradberry, S, Huang, J, MacNamara, A, Scarabottolo, L, Ecker, GF, Malarstig, A & Superti-Furga, G 2024, 'Experimental and Computational Analysis of Newly Identified Pathogenic Mutations in the Creatine Transporter SLC6A8', Journal of Molecular Biology, vol. 436, no. 2, 168383. https://doi.org/10.1016/j.jmb.2023.168383
Agrawal, A, Balcı, H, Hanspers, K, Coort, SL, Martens, M, Slenter, DN, Ehrhart, F, Digles, D, Waagmeester, A, Wassink, I, Abbassi-Daloii, T, Lopes, EN, Iyer, A, Acosta, JM, Willighagen, LG, Nishida, K, Riutta, A, Basaric, H, Evelo, CT, Willighagen, EL, Kutmon, M & Pico, AR 2024, 'WikiPathways 2024: next generation pathway database', Nucleic Acids Research, vol. 52, no. D1, pp. D679-D689. https://doi.org/10.1093/nar/gkad960
Grandits, M & Ecker, GF 2024, 'Ligand- and Structure-based Approaches for Transmembrane Transporter Modeling', Current drug research reviews, vol. 16, no. 2, pp. 81-93. https://doi.org/10.2174/2589977515666230508123041
2023
Smajić, A, Grandits, M & Ecker, GF 2023, 'Privacy-preserving techniques for decentralized and secure machine learning in drug discovery', Drug Discovery Today, vol. 28, no. 12, 103820, pp. 1-8. https://doi.org/10.1016/j.drudis.2023.103820
Grillberger, K, Cöllen, E, Trivisani, CI, Blum, J, Leist, M & Ecker, G 2023, 'Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging', International Journal of Molecular Sciences, vol. 24, no. 17, 13170. https://doi.org/10.3390/ijms241713170
Smajić, A, Rami, I, Sosnin, S & Ecker, GF 2023, 'Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets', Chemical Research in Toxicology, vol. 36, no. 8, pp. 1300-1312. https://doi.org/10.1021/acs.chemrestox.3c00042
Dvorak, V, Casiraghi, A, Colas, C, Koren, A, Tomek, T, Offensperger, F, Rukavina, A, Tin, G, Hahn, E, Dobner, S, Frommelt, F, Boeszoermenyi, A, Bernada, V, Hannich, JT, Ecker, GF, Winter, GE, Kubicek, S & Superti-Furga, G 2023, 'Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors', Cell Chemical Biology, vol. 30, no. 8, pp. 953-964.e9. https://doi.org/10.1016/j.chembiol.2023.06.029
Sanz, F, Pognan, F, Steger-Hartmann, T, Díaz, C, Asakura, S, Amberg, A, Bécourt-Lhote, N, Blomberg, N, Bosc, N, Briggs, K, Bringezu, F, Brulle-Wohlhueter, C, Brunak, S, Bueters, R, Callegaro, G, Capella-Gutierrez, S, Centeno, E, Corvi, J, Cronin, MTD, Drew, P, Duchateau-Nguyen, G, Ecker, GF, Escher, S, Felix, E, Ferreiro, M, Frericks, M, Furlong, LI, Geiger, R, George, C, Ivanov-Draganov, D, Kilgour-Christie, J, Kiziloren, T, Kors, JA, Koyama, N, Kreuchwig, A, Leach, AR, Mayer, M-A, Monecke, P, Muster, W, Nakazawa, CM, Nicholson, G, Parry, R, Piñero, J, Oberhauser, N, Ramírez-Anguita, JM, Rodrigo, A, Smajic, A, Schaefer, M, Schieferdecker, S, Soininen, I, Terricabras, E, Trairatphisan, P, Turner, SC, Valencia, A, van de Water, B, van der Lei, JL, van Mulligen, EM, Vock, E & Wilkinson, D 2023, 'eTRANSAFE: data science to empower translational safety assessment', Nature Reviews. Drug Discovery, vol. 22, no. 8, pp. 605-606. https://doi.org/10.1038/d41573-023-00099-5
Füzi, B, Mathai, N, Kirchmair, J & Ecker, GF 2023, 'Toxicity prediction using target, interactome, and pathway profiles as descriptors', Toxicology Letters, vol. 381, pp. 20-26. https://doi.org/10.1016/j.toxlet.2023.04.005
Sosnina, E, Sosnin, S & Fedorov, M 2023, 'Improvement of multi‑task learning by data enrichment: application for drug discovery', Journal of Computer-Aided Molecular Design, vol. 37, no. 4, pp. 183-200. https://doi.org/10.1007/s10822-023-00500-w