Publikationen der Abteilung für Theoretische Biophysik (TB)

Duan, Y.; Lu, Y.; Paul, S.; Betz, J.; Wilhelm, L. P.; Cook, A. S. I.; Ren, X.; Adriaenssens, E.; Martens, S.; Ganley, I. G. et al.; Hummer, G.; Hurley, J. H.: Reconstitution of multistep recruitment of ULK1 to membranes in autophagy. Science Advances 12 (36), eaeg3201 (2026)

Wedel, S.; Claveras Cabezudo, A.; Rauh, O.; Olkhova, E.; Müller, C.; Hahnefeld, L.; Gurke, R.; Geisslinger, G.; Hummer, G.; Sisignano, M.: Lysophospholipid-TRPV1 interactions in chemotherapy-induced neuropathy. Proceedings of the National Academy of Sciences of the United States of America 123 (35), e2613615123 (2026)

Tyagi, M.; de Hoog, E.; Grega, M.; Sullivan, K. R.; Walker, A. C.; Chadha, R.; Northrop, A.; Fábián, B.; Hummer, G.; Fuxreiter, M. et al.; Hyman, B. T.; Shepherd, J. D.: Arc mediates intercellular tau transmission via extracellular vesicles. Cell 189 (15), S. 4706 - 4723.e13 (2026)

Kappelhoff, S.; Holtmannspötter, M.; Schaefer, S. L.; Margheritis, E. G.; Asik, Ö. D.; Gehle, N.; Veit, H.; Danial, J. S. H.; Franzkoch, R.; Strauss, S. et al.; Alvelid, J.; Koerfer, A.; Eggeling, C.; Psathaki, O. E.; Jungmann, R.; Kurre, R.; Hummer, G.; Piehler, J.; Cosentino, K.: Direct visualization of native GSDMD pores reveals lipid-driven stabilization during pyroptosis. Science Advances 12 (28), eaee4587 (2026)

Kreysing, J. P.; Cruz-León, S.; Betz, J.; Penzo, C.; Majtner, T.; Schreiber, M.; Turoňová, B.; Lusic, M.; Hummer, G.; Beck, M.: Molecular architecture of heterochromatin at the nuclear periphery of primary human cells. Nature Communications 17, 5844 (2026)

Coshic, K.; Hummer, G.: Extrapolating molecular dynamics simulations to zero time step and across thermodynamic space. The Journal of Chemical Physics 165 (1), 014106 (2026)

Harris, S. A.; Lattanzi, G.; Rosa, A.; Everaers, R.; Papoian, G.; Vidal, A.; Brown, C.; Liverpool, T.; Pasos-Trejo, A.; Sadeghi, M. et al.; Khalid, S.; Ramanathan, A.; Henrich, O.; Dougan, L.; Freyberg, Z.; Pezeshkian, W.; Sept, D.; Geiger, B.; Beccaria, R.; Beales, P.; Covino, R.; Cocking, R.; Castelli, M.; Kundu, S.; Aureli, S.; Breoni, D.; Mazza, F.; Paternoster, C.; Morand, J.; Micheloni, M.; Cordoni, F.; Beaules, L.; van der Hoek, P.; Sillano, P.; Coronas, L. E.; Coshic, K.; Petrolli, L.; Trovato, A.; Karttunen, M.; Bartocci, A.; Inverardi, G. N.; Carnovale, F.: Meso-Soup: A community approach to building a computational description of the biological mesoscale. Biophysical Journal 125 (2026)

Weng, T.-H.; Fábián, B.; Olkhova, E.; Welsch, S.; Schmidt, S. L.; Danieli, T.; Keren, Y.; Rimon, A.; Safarian, S.; Hummer, G. et al.; Padan, E.; Michel, H.: pH-dependent activation of the Na⁺/H⁺ antiporter NhaA and conformational dynamics of its N-terminus. Nature Communications 17, 7489 (2026)

Anastasia, C. M.; Paul, S.; Kim, H.-I.; Cui, Q.; Fairbrother, D. H.; Giraldo, J. P.: Size and Cross-Linking Dependent Gold Nanoparticle Interactions with Dynamic Pectin Model Plant Cell Walls. ACS Nano 20 (21), S. 14980 - 14997 (2026)

Lapenta, F.; Palacio Rodríguez, K.; Cruz-León, S.; Marrancone, S.; Aupič, J.; Marechal, N.; Durand, A.; Moussaoui, D.; Covaceuszach, S.; Gangupam, B. et al.; D'Ercole, C.; Parra, C.; Cotugno, D.; Tomaino, G.; Tortora, P.; de Marco, A.; Cassetta, A.; Magistrato, A.; Hummer, G.: Structural flexibility of the human vault particle revealed by high-resolution cryo-EM and molecular dynamics simulations. Nature Communications 17, 6033 (2026)

Azeez, K. R. A.; Saraswati, H.; Mosler, T.; Hanke, T.; Ho-Xuan, H.; Neder, N.; Sivashanmugam, S. A.; Heinz, M.; Schwalm, M.-P.; Giuliani, G. et al.; Rathore, R.; Kazi, R.; Kumar, R.; Mitrovic, M.; Prieto-Garcia, C.; Bailey, H. J.; Mathea, S.; Hummer, G.; Đikić, I.; Müller, S.; Stolz, A.; Krause, D. S.; Knapp, S.: Discovery and Development of a Potent LIMK2 Isoform-Specific Degrader. ACS Chemical Biology 21 (5), S. 1158 - 1176 (2026)

Geißler, K.; Kreysing, J. P.; Wang, Y.; Glushkova, D.; Obarska-Kosinska, A.; Hoffmann, P. C.; Böhm, S.; Schmidt, A.; Meier-Credo, J.; Langer, J. D. et al.; Hummer, G.; Beck, M.: The vault associates with membranes in situ. Nature Communications 17, 3659 (2026)

Neuhaus, A.; McLaren, M.; Isupov, M. N.; Gaines, M.; Buzzard, E.; Sikora, M.; Hanus, C.; Daum, B.; Averhoff, B.; Gold, V. A. M.: Structural insights into the Thermus thermophilus type IV pilus machinery assembling two distinct pili. Communications Biology 9, 474 (2026)

Ibrahim, M.; Köfinger, J.; Zacharias, M.; Schneck, E.; Schwierz, N.: RNA at Lipid/Water Interfaces: Molecular Insights from Coarse-Grained Simulations and Reflectivity Data Predictions. Langmuir 42 (12), S. 8443 - 8452 (2026)

Debnath, J.; Hummer, G.: Random Functions as Data Compressors for Machine Learning of Molecular Processes. Journal of Chemical Theory and Computation 22 (3), S. 1504 - 1513 (2026)

Storm, K. R.; Wiebeler, C.; Cruz-León, S.; Körösy, C.; Schwierz, N.; Lipfert, J.: DNA twist at high alkali ion concentrations: evidence against C-form DNA in solution. Nucleic Acids Research 54 (5), gkag192 (2026)

Tesmer, L.; Matter, H.; Klingler, O.; Schudok, M.; Hessler, G.; Mehdipour, A. R.; Güssregen, S.; Schreuder, H.; Hummer, G.: Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin-Like Proteases. ChemMedChem 21 (2), e202500846 (2026)

Schäfer, D.; Prieto-Garcia, C.; Wang, J.; Heinz, M.; Matkovic, V.; Kielkowski, P.; Hasselbeck, S.; Shah, V. J.; Knapp, S.; Hummer, G. et al.; Dikic, I.; Cheng, X.: Targeting the Spliceosomal Protein USP39 Through Allosteric Ligands and PROTAC-Induced Degradation. Angewandte Chemie (International Ed. in English) 65 (5), e16809 (2026)

Paul, S.: Integrative Multiscale Simulations Uncover the Mechanistic Principles Governing COPII Mediated Vesicle Formation. The Journal of Membrane Biology 259 (1), 1 (2026)

Post, M.; Hummer, G.: AI-guided transition path sampling of lipid flip-flop and membrane nanoporation. Nature Communications 17, 224 (2026)