Publications of H. Grubmüller

Conference Paper (91)

261.
Conference Paper
Reinhardt, M.; Grubmüller, H.: Determining free energy differences through non-linear morphing. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), p. 141A - 141A (2019)
262.
Conference Paper
Volkhardt, A.; Grubmüller, H.: Estimating the high dimensional ruggedness of protein free energy landscapes from molecular dynamics trajectories. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), p. 341A - 341A (2019)
263.
Conference Paper
Bock, L. V.; Grubmüller, H.: Effects of cryo-EM freezing on the structural ensemble. 62nd Annual Meeting of the Biophysical Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal 114 (3, Suppl. 1), p. 160a - 160a (2018)
264.
Conference Paper
Buelens, F. P.; Leonov, H.; de Groot, B.; Grubmüller, H.: ATP as a fuel molecule: Evolutionary selection of magnesium-ATP interaction mode facilitates lossless chemomechanical coupling for ATPases. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal (Suppl), 3 Ed., p. 680a - 680a (2018)
265.
Conference Paper
Heinz, L. P.; Grubmüller, H.: Calculation of absolute solvation shell entropies from MD trajectories via permutation reduction. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal (Suppl), 3 Ed., p. 677a - 677a (2018)
266.
Conference Paper
Igaev, M.; Grubmüller, H.: Nucleotide-dependent conformational dynamics and energetics of tubulin. 62nd Annual Meeting of the Biophysical-Society , San Francisco, CA , February 17, 2018 - February 21, 2018. Biophysical Journal 114 (Suppl), 3 Ed., p. 504a - 504a (2018)
267.
Conference Paper
Vaiana, A. C.; Igaev, M.; Kutzner, C.; Grubmüller, H.: Fully automated correlation-based refinement of atomic models into high resolution cryo-EM density maps. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal 114 (3), p. 161a - 161a (2018)
268.
Conference Paper
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)
269.
Conference Paper
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)
270.
Conference Paper
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)
271.
Conference Paper
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)
272.
Conference Paper
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)
273.
Conference Paper
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)
274.
Conference Paper
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)
275.
Conference Paper
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)
276.
Conference Paper
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)
277.
Conference Paper
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)
278.
Conference Paper
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)
279.
Conference Paper
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)
280.
Conference Paper
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)
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