Publikationen von H. Grubmüller
Alle Typen
Zeitschriftenartikel (238)
Zeitschriftenartikel
138 (51), S. 16620 - 16631 (2016)
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
Zeitschriftenartikel
540 (7631), S. 80 - 85 (2016)
The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature
Zeitschriftenartikel
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters
Zeitschriftenartikel
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters
Zeitschriftenartikel
111 (8), S. 1668 - 1678 (2016)
A quantitative model for cAMP binding to the binding domain of MloK1. Biophysical Journal
Zeitschriftenartikel
7, 12026 (2016)
A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications
Zeitschriftenartikel
201, S. 159 - 166 (2016)
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications
Zeitschriftenartikel
12 (3), S. 1040 - 1051 (2016)
Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer. Journal of Chemical Theory and Computation
Zeitschriftenartikel
110 (2), S. 455 - 469 (2016)
Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal
Zeitschriftenartikel
198, S. 169 - 178 (2016)
NuSol: Numerical solver for the 3D stationary nuclear Schrödinger equation. Computer Physics Communications
Zeitschriftenartikel
10 (11), e0143399 (2015)
Role of structural dynamics at the receptor G protein interface for signal transduction. PLOS One
Zeitschriftenartikel
11 (11), S. 5513 - 5524 (2015)
Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. Journal of Chemical Theory and Computation
Zeitschriftenartikel
98 (4), S. 743 - 759 (2015)
PspF-binding domain PspA1-144 and the PspA·F complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins. Molecular Microbiology
Zeitschriftenartikel
36 (26), S. 1990 - 2008 (2015)
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry
Zeitschriftenartikel
43 (14), S. 6747 - 6760 (2015)
Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation. Nucleic Acids Research
Zeitschriftenartikel
31 (15), S. 2583 - 2585 (2015)
do_x3dna: A tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations. Bioinformatics
Zeitschriftenartikel
109 (2), S. 277 - 286 (2015)
MD simulations and FRET reveal an environment: Sensitive conformational plasticity of Importin-beta. Biophysical Journal
Zeitschriftenartikel
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv, 1507.00898v1 (2015)
Zeitschriftenartikel
108 (10), S. 2585 - 2590 (2015)
Binding affinities controlled by shifting conformational equilibria: Opportunities and limitations. Biophysical Journal
Zeitschriftenartikel
290 (13), S. 8256 - 8270 (2015)
Lipid binding defects and perturbed synaptogenic activity of a Collybistin R290H mutant that causes epilepsy and intellectual disability. Journal of Biological Chemistry