Publikationen von H. Grubmüller
Alle Typen
Zeitschriftenartikel (238)
41.
Zeitschriftenartikel
40 (27), S. 2418 - 2431 (2019)
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. Journal of Computational Chemistry 42.
Zeitschriftenartikel
10, 4598 (2019)
Thermodynamic control of −1 programmed ribosomal frameshifting. Nature Communications 43.
Zeitschriftenartikel
15 (9), S. 5087 - 5102 (2019)
SESCA: Predicting circular dichroism spectra from protein molecular structures. Journal of Chemical Theory and Computation 44.
Zeitschriftenartikel
116 (14), S. 6594 - 6601 (2019)
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 45.
Zeitschriftenartikel
116 (14), S. 6594 - 6601 (2019)
Heterogeneous and rate-dependent streptavidin–biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America 46.
Zeitschriftenartikel
8, e43542 (2019)
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife 47.
Zeitschriftenartikel
59 (10), S. 4093 - 4099 (2019)
Sharing data from molecular simulations. Journal of Chemical Information and Modeling 48.
Zeitschriftenartikel
19 (19), S. 2507 - 2511 (2018)
Transient secondary and tertiary structure formation kinetics in the intrinsically disordered state of α-Synuclein from atomistic simulations. ChemPhysChem 49.
Zeitschriftenartikel
51 (34), 343001 (2018)
The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics 50.
Zeitschriftenartikel
9, 2375 (2018)
Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 51.
Zeitschriftenartikel
14 (6), S. 2843 - 2851 (2018)
Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 52.
Zeitschriftenartikel
7, e34353 (2018)
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 53.
Zeitschriftenartikel
49, S. 27 - 35 (2018)
Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 54.
Zeitschriftenartikel
Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
55.
Zeitschriftenartikel
68 (3), S. 515 - 527 (2017)
Structural basis for polyproline-mediated ribosome stalling and rescue by the translation elongation factor EF-P. Molecular Cell 56.
Zeitschriftenartikel
8 (16), S. 3759 - 3764 (2017)
Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters 57.
Zeitschriftenartikel
13 (4), S. 363 - 365 (2017)
Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 58.
Zeitschriftenartikel
139 (11), S. 4025 - 4034 (2017)
Mechanochemical energy transduction during the main rotary step in the synthesis cycle of F1-ATPase. Journal of the American Chemical Society 59.
Zeitschriftenartikel
13 (1), S. 147 - 160 (2017)
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 60.
Zeitschriftenartikel
14 (1), S. 71 - 73 (2017)
CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods