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