Publikationen von H. Grubmüller

Konferenzbeitrag (83)

241.
Konferenzbeitrag
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, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal (Suppl), 3 Aufl., S. 680a - 680a (2018)
242.
Konferenzbeitrag
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, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal (Suppl), 3 Aufl., S. 677a - 677a (2018)
243.
Konferenzbeitrag
Igaev, M.; Grubmüller, H.: Nucleotide-dependent conformational dynamics and energetics of tubulin. 62nd Annual Meeting of the Biophysical-Society , San Francisco, CA , 17. Februar 2018 - 21. Februar 2018. Biophysical Journal 114 (Suppl), 3 Aufl., S. 504a - 504a (2018)
244.
Konferenzbeitrag
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, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal 114 (3), S. 161a - 161a (2018)
245.
Konferenzbeitrag
Bubnis, G.; Grubmüller, H.: Directing membrane poration in MD simulations with embedded mechanical gizmos. 62nd Annual Meeting of the Biophysical Society, San Francisco, CA, 17. Februar 2018 - 21. Februar 2018. Biohysical Journal 114 (3, Suppl. 1), S. 674a - 674a (2018)
246.
Konferenzbeitrag
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, 10. September 2017 - 14. September 2017. FEBS Journal 284 (Suppl 1), S. 9 - 10 (2017)
247.
Konferenzbeitrag
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, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 46 (Suppl_1), S. S43 - S43 (2017)
248.
Konferenzbeitrag
Bubnis, G.; Grubmüller, H.: Directing membrane pore formation in MD simulations using an embedded mechanical 'gadget'. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 46 (Suppl_1), S. S209 - S209 (2017)
249.
Konferenzbeitrag
Igaev, M.; Grubmüller, H.: Dynamics and energetics of intrinsic tubulin bending: Novel implications for microtubule assembly. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 46 (Suppl_1), S. S217 - S217 (2017)
250.
Konferenzbeitrag
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, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 46 (Suppl_1), S. S206 - S206 (2017)
251.
Konferenzbeitrag
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, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 46 (Suppl_1), S. S65 - S65 (2017)
252.
Konferenzbeitrag
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, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 112 (Suppl 1), 3 Aufl., S. 49a - 49a (2017)
253.
Konferenzbeitrag
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, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 112 (Suppl 1), 3 Aufl., S. 30a - 30a (2017)
254.
Konferenzbeitrag
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, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 112 (Suppl 1), 3 Aufl., S. 175a - 176a (2017)
255.
Konferenzbeitrag
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, 15. Februar 2014 - 19. Februar 2014. Biophysical Journal 112 (Suppl 1), S. 448a - 448a (2017)
256.
Konferenzbeitrag
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, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 112 (Suppl 1), 3 Aufl., S. 139a - 139a (2017)
257.
Konferenzbeitrag
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, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 112 (Suppl 1), 3 Aufl., S. 176a - 177a (2017)
258.
Konferenzbeitrag
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, 27. Februar 2016 - 02. März 2016. Biophysical Journal 110 (Suppl 1), 3 Aufl., S. 156A - 157A (2016)
259.
Konferenzbeitrag
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, 27. Februar 2016 - 02. März 2016. Biophysical Journal 110 (Suppl 1), 3 Aufl., S. 234A - 234A (2016)
260.
Konferenzbeitrag
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, 27. Februar 2016 - 02. März 2016. Biophysical Journal 110 (Suppl 1), 3 Aufl., S. 3A - 3A (2016)
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