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Journal Article (196)

  1. Journal Article
    Bubnis, G.; Risselada, H. J.; Grubmüller, H.: Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 117 (18) (2016)
  2. Journal Article
    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), pp. 1668 - 1678 (2016)
  3. Journal Article
    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 7 (2016)
  4. Journal Article
    Walczak, M.; Grubmüller, H.: BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications 201, pp. 159 - 166 (2016)
  5. Journal Article
    Donnini, S.; Ullmann, T.; Groenhof, G.; Grubmüller, H.: Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer. Journal of Chemical Theory and Computation 12 (3), pp. 1040 - 1051 (2016)
  6. Journal Article
    Kumar, R.; Grubmüller, H.: Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal 110 (2), pp. 455 - 469 (2016)
  7. Journal Article
    Graen, T.; Grubmüller, H.: NuSol: Numerical solver for the 3D stationary nuclear Schrödinger equation. Computer Physics Communications 198, pp. 169 - 178 (2016)
  8. Journal Article
    Rose, A. S.; Zachariae, U.; Grubmüller, H.; Hofmann, K. P.; Scheerer, P.; Hildebrand, W.: Role of structural dynamics at the receptor G protein interface for signal transduction. PLOS One 10 (11) (2015)
  9. Journal Article
    Rauscher, S.; Gapsys, V.; Gajda, M. J.; Zweckstetter, M.; de Groot, B. L.; Grubmüller, H.: Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. Journal of Chemical Theory and Computation 11 (11), pp. 5513 - 5524 (2015)
  10. Journal Article
    Osadnik, H.; Schöpfel, M.; Heidrich, E.; Mehner, D.; Lilie, H.; Parthier, C.; Risselada, H. J.; Grubmüller, H.; Brüser, T.; Stubbs , M. T.: PspF-binding domain PspA1-144 and the PspA·F complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins. Molecular Microbiology 98 (4), pp. 743 - 759 (2015)
  11. Journal Article
    Kutzner, C.; Páll, S.; Fechner, M.; Esztermann, A.; de Groot, B.; Grubmüller, H.: Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry 36 (26), pp. 1990 - 2008 (2015)
  12. Journal Article
    Bock, L. V.; Blau, C.; Vaiana, A. C.; Grubmüller, H.: Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation. Nucleic Acids Research 43 (14), pp. 6747 - 6760 (2015)
  13. Journal Article
    Kumar, R.; Grubmüller, H.: do_x3dna: A tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations. Bioinformatics 31 (15), pp. 2583 - 2585 (2015)
  14. Journal Article
    Halder, K.; Dölker, N.; Van, Q.; Gregor, I.; Dickmanns, A.; Baade, I.; Kehlenbach, R. H.; Ficner, R.; Enderlein, J.; Grubmüller, H. et al.; Neumann, H.: MD simulations and FRET reveal an environment: Sensitive conformational plasticity of Importin-beta. Biophysical Journal 109 (2) (2015)
  15. Journal Article
    Kutzner, C.; Páll, S.; Fechner, M.; Esztermann, A.; De Groot, B.; Grubmueller, H.: Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv (2015)
  16. Journal Article
    Michielssens, S.; de Groot, B. L.; Grubmüller, H.: Binding affinities controlled by shifting conformational equilibria: Opportunities and limitations. Biophysical Journal 108 (10), pp. 2585 - 2590 (2015)
  17. Journal Article
    Papadopoulos, T.; Schemm, R.; Grubmüller, H.; Brose, N.: Lipid binding defects and perturbed synaptogenic activity of a Collybistin R290H mutant that causes epilepsy and intellectual disability. Journal of Biological Chemistry 290 (13) (2015)
  18. Journal Article
    Taubert, J.; Hou, B.; Risselada, H. J.; Mehner, D.; Lünsdorf, H.; Grubmüller, H.; Brüser, T.: TatBC-independent TatA/Tat substrate interactions contribute to transport efficiency. PLOS One 10 (3) (2015)
  19. Journal Article
    Milovanovic, D.; Honigmann, A.; Koike, S.; Göttfert, F.; Pahler, G.; Junius, M.; Müller, S.; Diederichsen, U.; Janshoff, A.; Grubmüller, H. et al.; Risselada, H. J.; Eggeling, C.; Hell, S. W.; van den Bogaart, G.; Jahn, R.: Hydrophobic mismatch sorts SNARE proteins into distinct membrane domains. Nature Communications 6 (2015)
  20. Journal Article
    Wiederschein, F.; Vöhringer-Martinez, E.; Beinsen, A.; Postberg, F.; Schmidt, J.; Srama, R.; Stolz, F.; Grubmüller, H.; Abel, B.: Charge separation and isolation in strong water droplet impacts. Physical Chemistry Chemical Physics 17 (10), pp. 6858 - 6864 (2015)
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