Publications of H. Grubmüller
All genres
Conference Paper (91)
281.
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 282.
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 283.
Conference Paper
112 (Suppl 1), p. 290a - 290a (2017)
A new method to predict the electronic circular dichroism spectra of proteins. 58th Annual Meeting of the Biophysical-Society, San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 284.
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 285.
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 286.
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 287.
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 288.
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 289.
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 290.
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 291.
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 292.
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 293.
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 294.
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 295.
Conference Paper
108 (Suppl. 1), p. 470a - 470a (2015)
Bayesian cryo-EM refinement. 59th Annual Meeting of the Biophysical-Society, Baltimore/MD, February 07, 2015 - February 11, 2015. Biohysical Journal 296.
Conference Paper
108 (Suppl. 1), p. 26A - 26A (2015)
Balanced interactions between ribosomal subunits allow rapid large-scale rotation. Biophysical Journal 297.
Conference Paper
108 (Suppl. 1), p. 40A - 40A (2015)
A helical transport mechanism for type III secretion. Biophysical Journal 298.
Conference Paper
108 (Supplement 1), p. 58A - 58A (2015)
Understanding thermodynamics of conformational change in the F-ATPase. Biophysical Journal 299.
Conference Paper
108 (Supplement 1), p. 512a - 512a (2015)
Conformational dynamics and functional asymmetry of ABCE1, a ribosome recycling protein. 59th Annual Meeting of the Biophysical-Society, Baltimore, MD, February 07, 2015 - February 11, 2015. Biophysical Journal 300.
Conference Paper
108 (Supplement 1), p. 14A - 14A (2015)
Structural ensembles of intrinsically disordered proteins using molecular dynamics simulation. Biophysical Journal