2026
Arshad, R., Skalidis, I., Kopečný, D., Brabencová, S., Opatíková, M., Ilík, P., Pospíšil, P., Hamdi, F., Ćavar Zeljković, S., Kopečná, M., Roudnický, P., Lazár, D., Elias, E., Croce, R., Kastritis, P. L., & Kouřil, R. (2026). Cryo-EM structure of photosystem II supercomplex from a green microalga with extreme phototolerance. Nature Communications, 17(1), 341. https://doi.org/10.1038/s41467-025-65861-2
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