Zeitschriftenartikel (197)

  1. Zeitschriftenartikel
    Nagy, G.; Igaev, M.; Jones, N. C.; Hoffmann, S. V.; Grubmüller, H.: SESCA: Predicting circular dichroism spectra from protein molecular structures. Journal of Chemical Theory and Computation (2019)
  2. Zeitschriftenartikel
    Nagy, G.; Hoffmann, S. V.; Jones, N. C.; Grubmüller, H.: SESCA: Predicting the circular dichroism spectra of proteins from molecular structure. Journal of Chemical Theory and Computation (2019)
  3. Zeitschriftenartikel
    Kutzner, C.; Páll, S.; Fechner, M.; Esztermann, A.; de Groot, B. L.; Grubmüller, H.: More bang for your buck: Improved use of GPU nodes for GROMACS 2018. Journal of Computational Chemistry (2019)
  4. Zeitschriftenartikel
    Rico, F.; Russek, A.; Gonzalez, L.; Grubmüller, H.; Scheuring, S.: Heterogeneous and rate-dependent streptavidin-biotin unbinding revealed by high-speed force spectroscopy and molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America 116 (14) (2019)
  5. Zeitschriftenartikel
    Igaev, M.; Kutzner, C.; Bock, L. V.; Vaiana, A. C.; Grubmüller, H.: Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife 8 (2019)
  6. Zeitschriftenartikel
    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)
  7. Zeitschriftenartikel
    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. Zeitschriftenartikel
    von Ardenne, B.; Mechelke, M.; Grubmüller, H.: Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 9 (2018)
  9. Zeitschriftenartikel
    Rydzewski, J.; Jakubowski, R.; Nowak, W.; Grubmüller, H.: Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 14 (6), S. 2843 - 2851 (2018)
  10. Zeitschriftenartikel
    Igaev, M.; Grubmüller, H.: Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 7 (2018)
  11. Zeitschriftenartikel
    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)
  12. Zeitschriftenartikel
    Bock, L. V.; Kolář, M. H.; Grubmüller, H.: Molecular simulations of the ribosome and associated translation factors. arXiv (2017)
  13. Zeitschriftenartikel
    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)
  14. Zeitschriftenartikel
    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)
  15. Zeitschriftenartikel
    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)
  16. Zeitschriftenartikel
    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)
  17. Zeitschriftenartikel
    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)
  18. Zeitschriftenartikel
    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)
  19. Zeitschriftenartikel
    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)
  20. Zeitschriftenartikel
    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)
Zur Redakteursansicht