Publikationen von H. Grubmueller

Eichinger, M.; Heymann, B.; Heller, H.; Grubmueller, H.; Tavan, P.: Conformational dynamics simulations of proteins. Springer, Berlin (1998)

Kohnke, B.; Ullmann, R. T.; Beckman, A.; Kabadshow, I.; Haensel, D.; Morgenstern, L.; Dobrev, P.; Groenhof, G.; Kutzner, C.; Hess, B. et al.; Dachsel, H.; Grubmüller, H.: GROMEX: A scalable and versatile fast multipole method for biomolecular simulation. In: Software for Exascale Computing - SPPEXA 2016-2019, S. 517 - 543 (Hg. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)

von Ardenne, B.; Grubmüller, H.: Single particle imaging with FEL using photon correlations. In: Nanoscale Photonic Imaging, S. 435 - 455 (Hg. Salditt, T.; Egner, A.; Luke, D.). Springer, Cham (2020)

Kutzner, C.; Apostolov, R.; Hess, B.; Grubmüller, H.: Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC. In: Parallel Computing: Accelerating Computational Science and Engineering (CSE), S. 722 - 730 (Hg. Bader, M.; Bode, A.; Bungartz, H. J.). IOS Press, Amsterdam (2014)

Hub, J.; Grubmuller, H.; de Groot, B. L.: Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? In: Aquaporins, S. 57 - 76 (Hg. Beitz, E.). Springer, Berlin (2009)

Grubmueller, H.; Seeger, S.; Tschesche, H.: Aufbau, Funktion und Diagnostik biogener Moleküle. In: Gase, Nanosysteme, Flüssigkeiten, S. 977 - 1067 (Hg. Kleinermanns, K.). de Gruyter, Berlin (2006)

Kutzner, C.; van der Spoel, D.; Fechner, M.; Lindahl, E.; Schmitt, U. W.; de Groot, B. L.; Grubmueller, H.: Improved GROMACS scaling on ethernet switched clusters. In: Recent advances in parallel virtual machine and message passing interface. 13th European PVM/MPI User`s Group meeting, Bonn, Germany, September 17-20, 2006, S. 404 - 405 (Hg. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)

Grubmueller, H.: Force probe molecular dynamics simulations. In: Protein-ligand interactions; methods and applications, S. 493 - 515 (Hg. Nienhaus, U.). Humana Pr., Totowa, NJ. (2005)

Grubmueller, H.: Proteins as molecular machines: force probe simulations. In: Computational soft matter: From synthetic polymers to proteins; Winter School, 29. Febr. - 6. March, 2004, Gustav-Stresemann-Institut Bonn, S. 401 - 421 (Hg. Attig, N.; Binder, K.; Grubmueller, H.; Kremer, K.). John von Neumann Institute for Computing, Jülich (2004)

Tavan, P.; Grubmüller, H.: Selbstorganisation von Assoziativspeichern und Musterklassifikatoren: Rekurrente Signalverarbeitung auf topologischen Merkmalskarten. In: Kleinheubacher Berichte, Bd. 34, S. 573 - 582 (1991)

Blom, K.; Igaev, M.; Godec, A.; Grubmüller, H.: Collective mechanochemical effects in microtubule dynamics: Theory and simulations. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (Suppl_1), 3 Aufl., S. 31A - 32A (2020)

Dobrev, P.; Vemulapalli, S. P.; Nath, N.; Griesinger, C.; Grubmüller, H.: Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (3, Suppl. 1), S. 140A - 140A (2020)

Heinz, L. P.; Grubmüller, H.: Computing spatially resolved rotational hydration-shell entropies from MD simulations using an orientational k-nearest-neighbor density estimator. 64th Annual Meeting of the Biophysical-Society , San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (Suppl_1), 3 Aufl., S. 141A - 141A (2020)

Ullmann, R. T.; Grubmüller, H.: A versatile Lambda-dynamics module for GROMACS. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (Suppl_1), 3 Aufl., S. 138A - 138A (2020)

Volkhardt, A.; Grubmüller, H.: A scaling relation between accessible phase space volume and escape rates for random walks in high-dimensional hierarchical energy landscapes - Implications for protein dynamics. 64th Annual Meeting of the Biophysical-Society , San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (Suppl_1), 3 Aufl., S. 139A - 139A (2020)

Bock, L. V.; Kolar, M. H.; Vaiana, A. C.; Russek, A.; von Ardenne, B.; Grubmüller, H.: Molecular basis for the extra-mitochondrial roles of cytochrome c in cell Life and death. Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP), Madrid, Spain, 20. Juli 2019 - 24. Juli 2019. European Biophysics Journal 48 (Suppl 1), S. S52 - S52 (2019)

Igaev, M.; Kutzner, C.; Bock, L. V.; Vaiana, A. C.; Grubmüller, H.: Automated cryo-EM structure refinement using correlation -driven molecular dynamics. Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP), Madrid, Spain, 20. Juli 2019 - 24. Juli 2019. European Biophysics Journal 48 (Suppl 1), S. S126 - S126 (2019)

Bock, L. V.; Caliskan, N.; Korniy, N.; Peske, F.; Rodnina, M. V.; Grubmüller, H.: Thermodynamic control of ribosomal frameshifting. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 116 (Suppl_1), S. 361A - 361A (2019)

Heinz, L. P.; Grubmüller, H.: Charting the hydrophobic Effect: Computing spatially resolved absolute hydration shell entropies. 63rd Annual Meeting of the Biophysical-Society , Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 116 (Suppl_1), S. 143A - 143 (2019)

Igaev, M.; Grubmüller, H.: Long-range mechanical coupling in the microtubule lattice. 63rd Annual Meeting of the Biophysical-Society , Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 116 (Suppl_1), S. 256A - 256A (2019)