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Selected Publications

W-enzymes

Hagedoorn, P.L., Steady-state kinetics of the tungsten containing aldehyde ferredoxin oxidoreductases from the hyperthermophilic archaeon Pyrococcus furiosus, J. Biotechnol. 306 (2019)142-148. https://doi.org/10.1016/j.jbiotec.2019.10.005

Boes, D. M., Schmitz, R. A., & Hagedoorn, P. L. (2025). Tungsten containing aldehyde oxidoreductase (AOR)-family enzymes; past, present and future production strategies. Methods in Enzymology, 714, 313–336. https://doi.org/10.1016/bs.mie.2025.01.027

Listov, D., Vos, E., Hoffka, G., Hoch, S. Y., Berg, A., Hamer-Rogotner, S., Dym, O., Kamerlin, S. C. L., & Fleishman, S. J. (2025). Complete computational design of high-efficiency Kemp elimination enzymes. Nature, 643, 1421–1427. https://doi.org/10.1038/s41586-025-09136-2

Münch, J., Soler, J., Fleishman, S. J., Garcia-Borràs, M., & Weissenborn, M. J. (2024). A computationally designed panel of diverse and selective peroxygenases for terpene oxyfunctionalization. bioRxiv. https://doi.org/10.1101/2024.09.27.615329

Ciofalo, C., Laveglia, V., Andreini, C., & Rosato, A. (2025). Benchmarking zinc-binding site predictors: A comparative analysis of structure-based approaches. Journal of Chemical Information and Modeling, 65(10), 5205–5215. https://doi.org/10.1021/acs.jcim.5c00549

Vilela-Alves, G., Manuel, R. R., Martins, G., Carpentier, P., Raczyńska, A., Szaleniec, M., Pereira, I. A. C., Romão, M. J., & Mota, C. (2026). Structural insights into CO₂ transport pathways in a W-formate dehydrogenase: Structural basis for CO₂ reduction. Angewandte Chemie International Edition, 65(16), e26133. https://doi.org/10.1002/anie.202526133

Dusza, P., Wodziński, M., & Szaleniec, M. (2026). From BioEmu monomer ensembles to AMBER-ready holo models: Subunit-aware quality control of a cofactor-rich aldehyde oxidoreductase. In O. Gervasi et al. (Eds.), Computational science and its applications – ICCSA 2026 workshops (Lecture Notes in Computer Science, Vol. 16765, pp. 193–211). Springer. https://doi.org/10.1007/978-3-032-30536-7_13

W-metalloproteomics

Sevcenco, A.M., Bevers, L.E., Pinkse, M.W.H., Krijger, G.C., Wolterbeek, H.Th., Verhaert, P.D.E.M., Hagen, W.R., Hagedoorn, P.L., Molybdenum incorporation in tungsten aldehyde oxidoreductase enzymes from Pyrococcus furiosus, J. Bacteriol., 192 (2010) 4143-4152. https://doi.org/10.1128/JB.00270-10

W-cofactor biosynthesis

Bevers, L.E., Hagedoorn, P.L., Santamaria-Araujo, J.A., Magalon, A., Hagen, W.R., Schwarz, G., The function of MoaB proteins in the biosynthesis of the molybdenum and tungsten cofactors, Biochemistry 47, pp. 949-956, 2008. https://doi.org/10.1021/bi7020487

W-biochemistry review

Bevers, L.E., Hagedoorn, P.L., Hagen, W.R., The bioinorganic chemistry of tungsten, Coord. Chem. Rev. 253, pp. 269-290, 2009. https://doi.org/10.1016/j.ccr.2008.01.017

W-biocatalysis

Ni, Y., Hagedoorn, P.L., Xu, J.H., Arends, I.W.C.E., Hollmann, F., A biocatalytic hydrogenation of carboxylic acids, Chem. Commun. 48 (2012) 12056-12058. https://doi.org/10.1039/C2CC36479D

Metal-coordination distances in metalloproteins

Bazayeva, M., Andreini, C. & Rosato, A. (2024). Acta Cryst. D80, 362-376. https://doi.org/10.1107/S2059798324003152

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