Publications of H. Grubmüller
All genres
Journal Article (238)
2019
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
Journal Article
10, 4598 (2019)
Thermodynamic control of −1 programmed ribosomal frameshifting. Nature Communications
Journal Article
15 (9), pp. 5087 - 5102 (2019)
SESCA: Predicting circular dichroism spectra from protein molecular structures. Journal of Chemical Theory and Computation
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
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
Journal Article
8, e43542 (2019)
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife
Journal Article
59 (10), pp. 4093 - 4099 (2019)
Sharing data from molecular simulations. Journal of Chemical Information and Modeling 2018
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
Journal Article
51 (34), 343001 (2018)
The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics
Journal Article
9, 2375 (2018)
Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications
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
Journal Article
7, e34353 (2018)
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife
Journal Article
49, pp. 27 - 35 (2018)
Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 2017
Journal Article
Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
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
Journal Article
8 (16), pp. 3759 - 3764 (2017)
Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters
Journal Article
13 (4), pp. 363 - 365 (2017)
Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology
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
Journal Article
13 (1), pp. 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
Journal Article
14 (1), pp. 71 - 73 (2017)
CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods