Publikationen von H. Grubmüller
Alle Typen
Zeitschriftenartikel (238)
61.
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 62.
Zeitschriftenartikel
540 (7631), S. 80 - 85 (2016)
The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature 63.
Zeitschriftenartikel
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 64.
Zeitschriftenartikel
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 65.
Zeitschriftenartikel
111 (8), S. 1668 - 1678 (2016)
A quantitative model for cAMP binding to the binding domain of MloK1. Biophysical Journal 66.
Zeitschriftenartikel
7, 12026 (2016)
A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications 67.
Zeitschriftenartikel
201, S. 159 - 166 (2016)
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications 68.
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 69.
Zeitschriftenartikel
110 (2), S. 455 - 469 (2016)
Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal 70.
Zeitschriftenartikel
198, S. 169 - 178 (2016)
NuSol: Numerical solver for the 3D stationary nuclear Schrödinger equation. Computer Physics Communications 71.
Zeitschriftenartikel
10 (11), e0143399 (2015)
Role of structural dynamics at the receptor G protein interface for signal transduction. PLOS One 72.
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 73.
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 74.
Zeitschriftenartikel
36 (26), S. 1990 - 2008 (2015)
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry 75.
Zeitschriftenartikel
43 (14), S. 6747 - 6760 (2015)
Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation. Nucleic Acids Research 76.
Zeitschriftenartikel
31 (15), S. 2583 - 2585 (2015)
do_x3dna: A tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations. Bioinformatics 77.
Zeitschriftenartikel
109 (2), S. 277 - 286 (2015)
MD simulations and FRET reveal an environment: Sensitive conformational plasticity of Importin-beta. Biophysical Journal 78.
Zeitschriftenartikel
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv, 1507.00898v1 (2015)
79.
Zeitschriftenartikel
108 (10), S. 2585 - 2590 (2015)
Binding affinities controlled by shifting conformational equilibria: Opportunities and limitations. Biophysical Journal 80.
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