Suchergebnisse

Zeitschriftenartikel (191)

  1. 1.
    Graen, T.; Klement, R.; Grupi, A.; Haas, E.; Grubmüller, H.: Transient secondary and tertiary structure formation kinetics in the intrinsically disordered state of α-Synuclein from atomistic simulations. ChemPhysChem 19 (19), S. 2507 - 2511 (2018)
  2. 2.
    von Ardenne, B.; Mechelke, M.; Grubmüller, H.: Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications (2018)
  3. 3.
    Rydzewski, J.; Jakubowski, R.; Nowak, W.; Grubmüller, H.: Kinetics of huperzine a dissociation from ccetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 14 (6), S. 2843 - 2851 (2018)
  4. 4.
    Igaev, M.; Grubmüller, H.: Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife (2018)
  5. 5.
    Bock, L. V.; Kolar, M. H.; Grubmüller, H.: Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 49, S. 27 - 35 (2018)
  6. 6.
    Nagy, G.; Hoffmann, S. V.; Jones, N. C.; Grubmüller, H.: SESCA: Predicting the circular dichroism spectra of proteins from molecular structure. bioRxiv (2018)
  7. 7.
    Bassereau, P.; Jin, R.; Baumgart, T.; Deserno, M.; Dimova, R.; Frolov, V. A.; Bashkirov, P. V.; Grubmüller, H.; Jahn, R.; Risselada, H. J. et al.; Johannes, L.; Kozlov, M. M.; Lipowsky, R.; Pucadyil, T. J.; Zeno, W. F.; Stachowiak, J. C.; Stamou, D.; Breuer, A.; Lauritsen, L.; Simon, C.; Sykes, C.; Voth, G. A.; Weikl, T. R.: The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics 51 (34), 343001 (2018)
  8. 8.
    Huter, P.; Arenz, S.; Bock, L. V.; Graf, M.; Frister, J. O.; Heuer, A.; Peil, L.; Starosta, A. L.; Wohlgemuth, I.; Peske, F. et al.; Nováček, J.; Berninghausen, O.; Grubmüller, H.; Tenson, T.; Beckmann, R.; Rodnina, M. V.; Vaiana, A. C.; Wilson, D. N.: Structural basis for polyproline-mediated ribosome stalling and rescue by the translation elongation factor EF-P. Molecular Cell 68 (3), S. 515 - 527 (2017)
  9. 9.
    Yin, Z.; Inhester, L.; Thekku Veedu, S.; Quevedo, W.; Pietzsch, A.; Wernet, P.; Groenhof, G.; Föhlisch, A.; Grubmüller, H.; Techert, S.: Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters 8 (16), S. 3759 - 3764 (2017)
  10. 10.
    Gajewski, J.; Buelens, F. P.; Serdjukow, S.; Janßen, M.; Cortina, N.; Grubmüller, H.; Grininger, M.: Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 13 (4), S. 363 - 365 (2017)
  11. 11.
    Czub, J.; Wieczór, M.; Prokopowicz, B.; Grubmüller, H.: Mechanochemical energy transduction during the main rotary step in the synthesis cycle of F1-ATPase. Journal of the American Chemical Society 139 (11), S. 4025 - 4034 (2017)
  12. 12.
    Dobrev, P.; Donnini, S.; Groenhof, G.; Grubmüller, H.: Accurate three states model for amino acids with two chemically coupled titrating sites in explicit solvent atomistic constant pH simulations and pKa calculations. Journal of Chemical Theory and Computation 13 (1), S. 147 - 160 (2017)
  13. 13.
    Huang, J.; Rauscher, S.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Grubmüller, H.; MacKerell, A. D.: CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods 14 (1), S. 71 - 73 (2017)
  14. 14.
    Graen, T.; Inhester, L.; Clemens, M.; Grubmüller, H.; Groenhof, G.: The low barrier hydrogen bond in the photoactive yellow protein: A vacuum artifact absent in the crystal and solution. Journal of the American Chemical Society 138 (51), S. 16620 - 16631 (2016)
  15. 15.
    Fischer, N.; Neumann, P.; Bock, l. V.; Maracci, C.; Wang, Z.; Paleskava, A.; Konevega, A. L.; Schröder, G. F.; Grubmüller, H.; Ficner, R. et al.; Rodnina, M. V.; Stark, H.: The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature 540 (7631), S. 80 - 85 (2016)
  16. 16.
    Bubnis, G.; Risselada, H. J.; Grubmüller, H.: Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 117 (18), 188102 (2016)
  17. 17.
    Bubnis, G.; Risselada, H. J.; Grubmüller, H.: Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters (2016)
  18. 18.
    Voß, B.; Seifert, R.; Kaupp, U. B.; Grubmüller, H.: A quantitative model for cAMP binding to the binding domain of MloK1. Biophysical Journal 111 (8), S. 1668 - 1678 (2016)
  19. 19.
    Arenz, S.; Bock, L. V.; Graf, M.; Innis, C. A.; Beckmann, R.; Grubmüller, H.; Wilson, D. N.; Vaiana, A. C.: A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications (2016)
  20. 20.
    Walczak, M.; Grubmüller, H.: BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications 201, S. 159 - 166 (2016)
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