Publikationen von H. Grubmüller
Alle Typen
Zeitschriftenartikel (226)
21.
Zeitschriftenartikel
16 (11), S. 6938 - 6949 (2020)
A GPU-accelerated fast multipole method for GROMACS: Performance and accuracy. Journal of Chemical Theory and Computation 22.
Zeitschriftenartikel
102 (4), 043312 (2020)
Variationally derived intermediates for correlated free-energy estimates between intermediate states. Physical Review E 23.
Zeitschriftenartikel
16 (9), e1008132 (2020)
Microtubule instability driven by longitudinal and lateral strain propagation. PLoS Computational Biology 24.
Zeitschriftenartikel
49 (6), S. 497 - 510 (2020)
How accurate is circular dichroism-based model validation? European Biophysics Journal 25.
Zeitschriftenartikel
16 (6), S. 3504 - 3512 (2020)
Determining free-energy differences through variationally derived intermediates. Journal of Chemical Theory and Computation 26.
Zeitschriftenartikel
16 (4), S. 2561 - 2569 (2020)
Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. Journal of Chemical Theory and Computation 27.
Zeitschriftenartikel
118 (1), S. 151 - 161 (2020)
tRNA dissociation from EF-Tu after GTP hydrolysis: Primary steps and antibiotic inhibition. Biophysical Journal 28.
Zeitschriftenartikel
16 (1), S. 108 - 118 (2020)
Computing spatially resolved rotational hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation 29.
Zeitschriftenartikel
5 (12), eaax8030 (2019)
Active role of elongation factor G in maintaining the mRNA reading frame during translation. Science Advances 30.
Zeitschriftenartikel
40 (27), S. 2418 - 2431 (2019)
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. Journal of Computational Chemistry 31.
Zeitschriftenartikel
10, 4598 (2019)
Thermodynamic control of −1 programmed ribosomal frameshifting. Nature Communications 32.
Zeitschriftenartikel
15 (9), S. 5087 - 5102 (2019)
SESCA: Predicting circular dichroism spectra from protein molecular structures. Journal of Chemical Theory and Computation 33.
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 34.
Zeitschriftenartikel
8, e43542 (2019)
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife 35.
Zeitschriftenartikel
59 (10), S. 4093 - 4099 (2019)
Sharing data from molecular simulations. Journal of Chemical Information and Modeling 36.
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 37.
Zeitschriftenartikel
51 (34), 343001 (2018)
The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics 38.
Zeitschriftenartikel
9, 2375 (2018)
Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 39.
Zeitschriftenartikel
14 (6), S. 2843 - 2851 (2018)
Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 40.
Zeitschriftenartikel
7, e34353 (2018)
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife