2026
Shaikhqasem, A., Hamdi, F., Machner, L., Parthier, C., Breithaupt, C., Kyrilis, F. L., Feller, S. M., Kastritis, P. L., & Stubbs, M. T. (2026). Strategies for mitigating radiation damage and improving data completeness in 3D electron diffraction of protein crystals. Acta Crystallographica. Section D, Structural Biology, 82(Pt 1), 11–22. https://doi.org/10.1107/S2059798325011258
2025
Jiang, S., Su, Z., Bloodworth, N., Liu, Y., Martina, C. E., Harrison, D. G., & Meiler, J. (2025). Machine learning application to predict binding affinity between peptide containing non-canonical amino acids and HLA-A0201. PloS One, 20(6), e0314833. https://doi.org/10.1371/journal.pone.0314833
Kuang, X., Liu, Y. L., Lin, X., Spencer-Smith, J., Derr, T., Wu, Y., Bitter, H., Hu, Y., Meiler, J., & Su, Z. (2025). Superwater as a generative AI framework to predict water molecule positions on protein structures. Communications Chemistry, 8(1), 397. https://doi.org/10.1038/s42004-025-01789-4
Lederer, S., Liese, A., Lee, J., & Romeis, T. (2025). Sense and sensitivity – decoding calcium signalling across cellular, autocrine, paracrine and endocrine pathways in plant resilience. Current Opinion in Plant Biology, 87, 102782. https://doi.org/10.1016/j.pbi.2025.102782
Liessmann, F., Eisenhuth, P., Fürll, A., Vu, O., Moretti, R., & Meiler, J. (2025). Cache: Utilizing ultra-large library screening in Rosetta to identify novel binders of the WD-repeat domain of Leucine-Rich Repeat Kinase 2. Journal of Cheminformatics, 17(1), 145. https://doi.org/10.1186/s13321-025-01084-3
Lin, X., Su, Z., Liu, Y. L., Liu, J., Kuang, X., Cummings, P. T., Spencer-Smith, J., & Meiler, J. (2025). Supermetal: A generative AI framework for rapid and precise metal ion location prediction in proteins. Journal of Cheminformatics, 17(1), 107. https://doi.org/10.1186/s13321-025-01038-9
Machner, L., Shaikhqasem, A., Gruber, T., Hamdi, F., Breithaupt, C., Kniest, J., Wiebe, F., Lewitzky, M., Parthier, C., Kyrilis, F. L., Balbach, J., Kastritis, P. L., Feller, S. M., & Stubbs, M. T. (2025). Mechanism of SHP2 activation by bis-Tyr-phosphorylated Gab1. Structure (London, England : 1993). Advance online publication. https://doi.org/10.1016/j.str.2025.11.018
Meier, B., Mariani, O., & Peiter, E. (2025). Manganese handling in plants: Advances in the mechanistic and functional understanding of transport pathways. Quantitative Plant Biology, 6, e16. https://doi.org/10.1017/qpb.2025.10012
Moya, C. G., Rodriguez, R., Perez, C. S., Garay, H., Wiesent, J., Gröger, S., Masforrol, Y., Perera, Y., Perea, S. E., & Balbach, J. (2025). Diastereomers of the Anticancer Peptide CIGB-300 with Altered β-Turn Structures. International Journal of Peptide Research and Therapeutics, 31(1). https://doi.org/10.1007/s10989-024-10662-2
Pliushcheuskaya, P., & Künze, G. (2025). Evaluation of Small-Molecule Binding Site Prediction Methods on Membrane-Embedded Protein Interfaces. Journal of Chemical Information and Modeling, 65(13), 6949–6967. https://doi.org/10.1021/acs.jcim.5c00336
Schermeng, T., Fürll, A., Liessmann, F., Bredow, L. von, Stichel, J., Weaver, C. D., Tretbar, M., Meiler, J., & Beck-Sickinger, A. G. (2025). Similar Binding Mode of a 5-Sulfonylthiouracil Derivative Antagonist at Chemerin Receptors CMKLR1 and GPR1. Journal of Medicinal Chemistry, 68(11), 11149–11173. https://doi.org/10.1021/acs.jmedchem.5c00135
Scholl, C. R., Grosch, L., Baradei, J., Kastritis, P. L., Schoeder, C. T., & Laubinger, S. (2025). Form follows function – structural interplay between DCL1 and pri-miRNAs. Trends in Plant Science. Advance online publication. https://doi.org/10.1016/j.tplants.2025.07.016
Schuster, M., Ciattoni, A. L., & van der Hoorn, R. A. L. (2025). Hacking the immune system: Plant immune protease engineering for crop protection. Journal of Experimental Botany. Advance online publication. https://doi.org/10.1093/jxb/eraf137
Tüting, C., Janson, K., Kammel, M., Ihling, C., Lorenz, J., Kyrilis, F. L., Hamdi, F., Erdmann, C., Sinz, A., Sawers, R. G., & Kastritis, P. L. (2025). Conserved hydrophilic checkpoints tune FocA-mediated formate:H+ symport. Nature Communications, 16(1), 9476. https://doi.org/10.1038/s41467-025-65159-3
Vogel, K., Moeller, J., Bozhanova, N. G., Voehler, M., Penk, A., Meiler, J., & Schoeder, C. T. (2025). Computational Engineering of siderocalin to modulate its binding affinity to the antihypertension drug candesartan. Journal of Structural Biology, 217(1), 108180. https://doi.org/10.1016/j.jsb.2025.108180
Vorontsov, I. E., Kozin, I., Abramov, S., Boytsov, A., Jolma, A., Albu, M., Ambrosini, G., Faltejskova, K., Gralak, A. J., Gryzunov, N., Inukai, S., Kolmykov, S., Kravchenko, P., Kribelbauer-Swietek, J. F., Laverty, K. U., Nozdrin, V., Patel, Z. M., Penzar, D., Plescher, M.‑L., . . . Kulakovskiy, I. V. (2025). Cross-platform motif discovery and benchmarking to explore binding specificities of poorly studied human transcription factors. Communications Biology, 8(1), 1545. https://doi.org/10.1038/s42003-025-08909-9
Zamanos, A., Koromilas, P., Bouritsas, G., Kastritis, P. L., & Panagakis, Y. (2025). Self-supervised learning for generalizable particle picking in cryo-EM micrographs. Cell Reports Methods, 5(7), 101089. https://doi.org/10.1016/j.crmeth.2025.101089
2024
Zhu, Z., Trenner, J., Delker, C., & Quint, M. (2024). Tracing the Evolutionary History of the Temperature-Sensing Prion-like Domain in EARLY FLOWERING 3 Highlights the Uniqueness of AtELF3. Molecular Biology and Evolution, 41(10). https://doi.org/10.1093/molbev/msae205