Publications of H. Grubmüller
All genres
Conference Paper (83)
261.
Conference Paper
46 (Suppl_1), p. S65 - S65 (2017)
Structural ensembles of intrinsically disordered proteins using all-atom molecular simulation. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 262.
Conference Paper
112 (Suppl 1), 3 Ed., p. 49a - 49a (2017)
Dynamics and energetics of elongation factor SelB in the ternary complex and the ribosome. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 263.
Conference Paper
112 (Suppl 1), 3 Ed., p. 30a - 30a (2017)
Mechanisms of sequence dependent translational stalling. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 264.
Conference Paper
112 (Suppl 1), 3 Ed., pp. 175a - 176a (2017)
CHARMM36: An improved force field for folded and intrinsically disordered proteins. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 265.
Conference Paper
112 (Suppl 1), p. 448a - 448a (2017)
A flexible, GPU - powered fast multipole method for realistic biomolecular simulations in Gromacs. 58th Annual Meeting of the Biophysical-Society, San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 266.
Conference Paper
112 (Suppl 1), 3 Ed., p. 139a - 139a (2017)
Ions in action - Studying ion channels by computational electrophysiology in GROMACS. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 267.
Conference Paper
112 (Suppl 1), 3 Ed., pp. 176a - 177a (2017)
Gromex: Electrostatics with chemical variability for realistic molecular simulations on the exascale. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 268.
Conference Paper
110 (Suppl 1), 3 Ed., pp. 156A - 157A (2016)
From CRYO-EM densities to atom coordinates and ensembles with Bayes approach. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 269.
Conference Paper
110 (Suppl 1), 3 Ed., p. 234A - 234A (2016)
ErmBL translation on the ribosome in the presence of erythromycin is stalled by inhibition of peptide bond formation. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 270.
Conference Paper
110 (Suppl 1), 3 Ed., p. 3A - 3A (2016)
Low energy barriers and a dynamic contact network between ribosomal subunits enable Rapid tRNA translocation. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 271.
Conference Paper
110 (Suppl 1), 3 Ed., pp. 570A - 571A (2016)
Directing membrane pore and stalk formation in MD simulations with embedded mechanical devices. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 272.
Conference Paper
110 (Suppl 1), 3 Ed., p. 318A - 318A (2016)
Atomistic and reaction- kinetic modelling for engineering of fatty acid synthase. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 273.
Conference Paper
110 (Suppl 1), 3 Ed., p. 312A - 312A (2016)
Mechanism of energy conversion during the rotary catalytic cycle of F1-ATPase. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 274.
Conference Paper
110 (Suppl 1), 3 Ed., p. 551A - 551A (2016)
Molecular dynamics simulations of alpha-synuclein ensemble FRET measurements from different force fields. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 275.
Conference Paper
110 (Suppl 1), 3 Ed., p. 358A - 358A (2016)
Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 276.
Conference Paper
110 (Suppl 1), 3 Ed., p. 643A - 643A (2016)
Estimating the ruggedness of protein free energy landscapes from molecular dynamics simulations. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 277.
Conference Paper
282 (Suppl. 1), p. 46 - 46 (2015)
Atomistic simulation of single molecule experiments: Molecular machines and a dynasome perspective. 40th Congress of the Federation of European Biochemical Societies (FEBS) - The Biochemical Basis of Life, Berlin, July 04, 2015 - July 09, 2015. FEBS Journal 278.
Conference Paper
108 (Supplement 1), p. 356a - 356a (2015)
High-speed force spectroscopy unbinds streptavidin-biotin at the velocity of molecular dynamics simulations. 59th Annual Meeting of the Biophysical-Society, Baltimore/MD, February 07, 2015 - February 11, 2015. Biophysical Journal 279.
Conference Paper
108 (Supplement 1), p. 166a - 166a (2015)
Bringing force probe molecular dynamics simulations closer to experiments. Biophysical Journal 280.
Conference Paper
108 (Supplement 1), p. 318a - 318a (2015)
Structural determinants of hybrid state intermediates of the bacterial ribosome. 59th Annual Meeting of the Biophysical-Society, Baltimore, February 07, 2015 - February 11, 2015. Biophysical Journal