Publications of H. Grubmüller

Bubnis, G.; Grubmüller, H.: Directing membrane poration in MD simulations with embedded mechanical gizmos. 62nd Annual Meeting of the Biophysical Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biohysical Journal 114 (3, Suppl. 1), p. 674a - 674a (2018)

Gajewski, J.; Rittner, A.; Paithankar, K.; Fischer, M.; Buelens, F. P.; Grubmüller, H.; Grininger, M.: Engineering fatty acid synthases (FAS) for custom compound synthesis. 42nd Congress of the Federation-of-European-Biochemical-Societies (FEBS) on From Molecules to Cells and Back, Jerusalem, Israel, September 10, 2017 - September 14, 2017. FEBS Journal 284 (Suppl 1), pp. 9 - 10 (2017)

Bock, L. V.; Kolar, M. H.; Vaiana, A. C.; Grubmüller, H.: Towards a mechanistic understanding of ribosomal function. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S43 - S43 (2017)

Bubnis, G.; Grubmüller, H.: Directing membrane pore formation in MD simulations using an embedded mechanical 'gadget'. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S209 - S209 (2017)

Igaev, M.; Grubmüller, H.: Dynamics and energetics of intrinsic tubulin bending: Novel implications for microtubule assembly. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S217 - S217 (2017)

Klement, R.; Graen, T. M. D.; Grupi, A.; Haas, E.; Grubmüller, H.: Structural dynamics of monomeric alpha-synuclein on the ps-mu s time scale derived from MD simulations. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S206 - S206 (2017)

Rauscher, S.; Huang, J.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Mackerell, A. D.; Grubmüller, H.: 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 46 (Suppl_1), p. S65 - S65 (2017)

Bock, L. V.; Fischer, N.; Stark, H.; Grubmüller, H.: 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 112 (Suppl 1), 3 Ed., p. 49a - 49a (2017)

Bock, L. V.; Huter, P. P. H.; Arenz, S.; Graf, M.; Grubmüller, H.; Wilson, D.; Vaiana, A. C.: Mechanisms of sequence dependent translational stalling. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., p. 30a - 30a (2017)

Huang, J.; Rauscher, S.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Grubmüller, H.; MacKerell, A. D.: 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 112 (Suppl 1), 3 Ed., pp. 175a - 176a (2017)

Kohnke, B.; Ullmann, R. T.; Kutzner, C.; Beckmann, A.; Haensel, D.; Kabadshow, I.; Dachsel, H.; Hess, B.; Grubmüller, H.: 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 112 (Suppl 1), p. 448a - 448a (2017)

Kutzner, C.; Ullmann, R. T.; de Groot, B. L.; Zachariae, U.; Grubmüller, H.: 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 112 (Suppl 1), 3 Ed., p. 139a - 139a (2017)

Nagy, G.; Grubmüller, H.: 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 112 (Suppl 1), p. 290a - 290a (2017)

Ullmann, R. T.; Kutzner, C.; Beckmann, A.; Kohnke, B.; Haensel, D.; Kabadshow, I.; Dachsel, H.; Hess, B.; Grubmüller, H.: 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 112 (Suppl 1), 3 Ed., pp. 176a - 177a (2017)

Blau, C.; Lenner, N.; Kutzner, C.; Grubmüller, H.; Lindahl, E.: 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 110 (Suppl 1), 3 Ed., pp. 156A - 157A (2016)

Bock, L. V.; Arenz, S.; Wilson, D. N.; Grubmüller, H.; Vaiana, A. C.: 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 110 (Suppl 1), 3 Ed., p. 234A - 234A (2016)

Bock, L. V.; Blau, C.; Vaiana, A. C.; Grubmüller, H.: 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 110 (Suppl 1), 3 Ed., p. 3A - 3A (2016)

Bubnis, G.; Grubmüller, H.: 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 110 (Suppl 1), 3 Ed., pp. 570A - 571A (2016)

Buelens, F. P.; Grubmüller, H.: 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 110 (Suppl 1), 3 Ed., p. 318A - 318A (2016)

Czub, J.; Wieczor, M.; Dutkiewicz, M.; Grubmüller, H.: 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 110 (Suppl 1), 3 Ed., p. 312A - 312A (2016)