2023

Bhowmick, A., Hussein, R., Bogacz, I., Simon, P.S., Ibrahim, M., Chatterjee, R., Doyle, M.D., Cheah, M.H., Fransson, T., Chernev, P., Kim, I.-S., Makita, H., Dasgupta, M., Kaminsky, C.J., Zhang, M., Gätcke, J., Haupt, S., Nangca, I.I., Keable, S.M., Aydin, A.O., Tono, K., Owada, S., Gee, L.B., Fuller, F.D., Batyuk, A., Alonso-Mori, R., Holton, J.M., Paley, D.W., Moriarty, N.W., Mamedov, F., Adams, P.D., Brewster, A.S., Dobbek, H., Sauter, N.K., Bergmann, U., Zouni, A., Messinger, J., Kern, J., Yano, J. and Yachandra, V.K. (2023). Structural evidence for intermediates during O₂ formation in photosystem II. Nature. doi: 10.1038/s41586-023-06038-z.

Bothe, A., Zouni, A. and Müh, F. (2023). Refined definition of the critical micelle concentration and application to alkyl maltosides used in membrane protein research. RSC Adv., 13, 14: 9387-9401. doi: 10.1039/D2RA07440K.

Durumeric, A.E.P., Charron, N.E., Templeton, C., Musil, F., Bonneau, K., Pasos-Trejo, A.S., Chen, Y., Kelkar, A., Noé, F. and Clementi, C. (2023). Machine learned coarse-grained protein force-fields: Are we there yet? Curr. Opin. Struct. Biol., 79, 102533. doi: 10.1016/j.sbi.2023.102533.

Greife, P., Schönborn, M., Capone, M., Assunção, R., Narzi, D., Guidoni, L. and Dau, H. (2023). The electron–proton bottleneck of photosynthetic oxygen evolution. Nature. doi: 10.1038/s41586-023-06008-5.

Katsyv, A., Kumar, A., Saura, P., Pöverlein, M.C., Freibert, S.A., T. Stripp, S., Jain, S., Gamiz-Hernandez, A.P., Kaila, V.R.I., Müller, V. and Schuller, J.M. (2023). Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J. Am. Chem. Soc. doi: 10.1021/jacs.2c11683.

Köhler, J., Chen, Y., Krämer, A., Clementi, C. and Noé, F. (2023). Flow-Matching: Efficient Coarse-Graining of Molecular Dynamics without Forces. J. Chem. Theory and Comput., 19, 3: 942-952. doi: 10.1021/acs.jctc.3c00016.

Krämer, A., Durumeric, A.E.P., Charron, N.E., Chen, Y., Clementi, C. and Noé, F. (2023). Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics. J. Phys. Chem. Lett., 14, 17: 3970-3979. doi: 10.1021/acs.jpclett.3c00444.

Morlock, S., Subramanian, S.K., Zouni, A. and Lisdat, F. (2023). Closing the green gap of photosystem I with synthetic fluorophores for enhanced photocurrent generation in photobiocathodes. Chem. Sci. doi: 10.1039/D2SC05324A.

Smirnova, J., Loerke, J., Kleinau, G., Schmidt, A., Bürger, J., Meyer, E.H., Mielke, T., Scheerer, P., Bock, R., Spahn, C.M.T. and Zoschke, R. (2023). Structure of the actively translating plant 80S ribosome at 2.2 Å resolution. Nat. Plants, doi: 10.1038/s41477-023-01407-y.

Wolf, A., Volz-Rakebrand, P., Balke, J. and Alexiev, U. (2023). Diffusion Analysis of NAnoscopic Ensembles: A Tracking-Free Diffusivity Analysis for Nanoscopic Ensembles in Biological Samples and Nanotechnology. Small: 2206722. doi: 10.1002/smll.202206722.

Yang, W., Templeton, C., Rosenberger, D., Bittracher, A., Nüske, F., Noé, F. and Clementi, C. (2023). Slicing and Dicing: Optimal Coarse-Grained Representation to Preserve Molecular Kinetics. ACS Cent. Sci. doi: 10.1021/acscentsci.2c01200.