Publications, Patents, Books and Book Chapters
Showing entries 11 - 20 out of 256
2023
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
Huang, J & Ecker, G 2023, 'A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance', Molecules, vol. 28, no. 2, 495, pp. 494. https://doi.org/10.3390/molecules28020495
van der Noord, VE, van der Stel, W, Louwerens, G, Verhoeven, D, Kuiken, HJ, Lieftink, C, Grandits, M, Ecker, GF, Beijersbergen, RL, Bouwman, P, Le Dévédec, SE & van de Water, B 2023, 'Systematic screening identifies ABCG2 as critical factor underlying synergy of kinase inhibitors with transcriptional CDK inhibitors', Breast Cancer Research, vol. 25, no. 1, 51, pp. 51. https://doi.org/10.1186/s13058-023-01648-x
2022
Schrempf, A, Bernardo, S, Arasa Verge, EA, Ramirez Otero, MA, Wilson, J, Kirchhofer, D, Timelthaler, G, Ambros, AM, Kaya, A, Wieder, M, Ecker, GF, Winter, GE, Costanzo, V & Loizou, JI 2022, 'POLθ processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells', Cell Reports, vol. 41, no. 9, 111716. https://doi.org/10.1016/j.celrep.2022.111716
Smajic, A, Grandits, M & Ecker, GF 2022, 'Using Jupyter Notebooks for re-training machine learning models', Journal of Cheminformatics, vol. 14, no. 1, 54. https://doi.org/10.1186/s13321-022-00635-2
Decker, S, Taschauer, A, Geppl, E, Pirhofer, V, Schauer, M, Pöschl, S, Kopp, F, Richter, L, Ecker, GF, Sami, H & Ogris, M 2022, 'Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery', European Journal of Pharmaceutics and Biopharmaceutics, vol. 176, pp. 211-221. https://doi.org/10.1016/j.ejpb.2022.05.004
Füzi, B, Malik-Sheriff, RS, Manners, EJ, Hermjakob, H & Ecker, GF 2022, 'KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study', Journal of Cheminformatics, vol. 14, no. 1, 37. https://doi.org/10.1186/s13321-022-00615-6
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
Naga, D, Parrott, N, Ecker, GF & Olivares-Morales, A 2022, 'Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery', Molecular Pharmaceutics. https://doi.org/10.1021/acs.molpharmaceut.2c00040
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