Publications of H. Grubmüller
All genres
Journal Article (226)
41.
Journal Article
49, pp. 27 - 35 (2018)
Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 42.
Journal Article
Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
43.
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 44.
Journal Article
8 (16), pp. 3759 - 3764 (2017)
Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters 45.
Journal Article
13 (4), pp. 363 - 365 (2017)
Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 46.
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 47.
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 48.
Journal Article
14 (1), pp. 71 - 73 (2017)
CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods 49.
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 50.
Journal Article
540 (7631), pp. 80 - 85 (2016)
The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature 51.
Journal Article
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 52.
Journal Article
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 53.
Journal Article
111 (8), pp. 1668 - 1678 (2016)
A quantitative model for cAMP binding to the binding domain of MloK1. Biophysical Journal 54.
Journal Article
7, 12026 (2016)
A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications 55.
Journal Article
201, pp. 159 - 166 (2016)
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications 56.
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 57.
Journal Article
110 (2), pp. 455 - 469 (2016)
Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal 58.
Journal Article
198, pp. 169 - 178 (2016)
NuSol: Numerical solver for the 3D stationary nuclear Schrödinger equation. Computer Physics Communications 59.
Journal Article
10 (11), e0143399 (2015)
Role of structural dynamics at the receptor G protein interface for signal transduction. PLOS One 60.
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