Suchergebnisse

Zeitschriftenartikel (209)

21.
Zeitschriftenartikel
von Ardenne, B.; Mechelke, M.; Grubmüller, H.: Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 9, 2375 (2018)
22.
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)
23.
Zeitschriftenartikel
Igaev, M.; Grubmüller, H.: Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 7, e34353 (2018)
24.
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)
25.
Zeitschriftenartikel
Bock, L. V.; Kolář, M. H.; Grubmüller, H.: Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
26.
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)
27.
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)
28.
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)
29.
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)
30.
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)
31.
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)
32.
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)
33.
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)
34.
Zeitschriftenartikel
Bubnis, G.; Risselada, H. J.; Grubmüller, H.: Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 117 (18), 188102 (2016)
35.
Zeitschriftenartikel
Bubnis, G.; Risselada, H. J.; Grubmüller, H.: Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 117 (18), 188102 (2016)
36.
Zeitschriftenartikel
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)
37.
Zeitschriftenartikel
Arenz, S.; Bock, L. V.; Graf, M.; Innis, C. A.; Beckmann, R.; Grubmüller, H.; Vaiana, A. C.; Wilson, D. N.: A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications 7, 12026 (2016)
38.
Zeitschriftenartikel
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)
39.
Zeitschriftenartikel
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), S. 1040 - 1051 (2016)
40.
Zeitschriftenartikel
Kumar, R.; Grubmüller, H.: Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal 110 (2), S. 455 - 469 (2016)
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