Publications of H. Grubmüller
All genres
Journal Article (240)
41.
Journal Article
16 (1), pp. 108 - 118 (2020)
Computing spatially resolved rotational hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation 42.
Journal Article
5 (12), eaax8030 (2019)
Active role of elongation factor G in maintaining the mRNA reading frame during translation. Science Advances 43.
Journal Article
40 (27), pp. 2418 - 2431 (2019)
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. Journal of Computational Chemistry 44.
Journal Article
10, 4598 (2019)
Thermodynamic control of −1 programmed ribosomal frameshifting. Nature Communications 45.
Journal Article
15 (9), pp. 5087 - 5102 (2019)
SESCA: Predicting circular dichroism spectra from protein molecular structures. Journal of Chemical Theory and Computation 46.
Journal Article
116 (14), pp. 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 47.
Journal Article
116 (14), pp. 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 48.
Journal Article
8, e43542 (2019)
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife 49.
Journal Article
59 (10), pp. 4093 - 4099 (2019)
Sharing data from molecular simulations. Journal of Chemical Information and Modeling 50.
Journal Article
19 (19), pp. 2507 - 2511 (2018)
Transient secondary and tertiary structure formation kinetics in the intrinsically disordered state of α-Synuclein from atomistic simulations. ChemPhysChem 51.
Journal Article
51 (34), 343001 (2018)
The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics 52.
Journal Article
9, 2375 (2018)
Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 53.
Journal Article
14 (6), pp. 2843 - 2851 (2018)
Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 54.
Journal Article
7, e34353 (2018)
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 55.
Journal Article
49, pp. 27 - 35 (2018)
Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 56.
Journal Article
Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
57.
Journal Article
68 (3), pp. 515 - 527 (2017)
Structural basis for polyproline-mediated ribosome stalling and rescue by the translation elongation factor EF-P. Molecular Cell 58.
Journal Article
8 (16), pp. 3759 - 3764 (2017)
Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters 59.
Journal Article
13 (4), pp. 363 - 365 (2017)
Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 60.
Journal Article
139 (11), pp. 4025 - 4034 (2017)
Mechanochemical energy transduction during the main rotary step in the synthesis cycle of F1-ATPase. Journal of the American Chemical Society