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Journal Article (227)

Journal Article
Grubmüller, H.: Predicting slow structural transitions in macromolecular systems: Conformational flooding. Physical Review E 52 (3), pp. 2893 - 2906 (1995)
Journal Article
Grubmüller, H.; Tavan, P.: Molecular dynamics of conformational substates for a simplified protein model. Journal of Chemical Physics 101 (6), pp. 5047 - 5057 (1994)
Journal Article
Grubmüller, H.; Döhring, K.; Tavan, P.; Nonella, M.; Oesterhelt, D.: BR at work: a computeranimation for the 13-14-cis-model of the photochemical cycle of bacteriorhodopsin. Journal of molecular graphics 11 (4), p. 258 (1993)
Journal Article
Grubmüller, H.; Heller, H.; Windemuth, A.; Schulten, K.: Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Molecular Simulation 6 (1-3), pp. 121 - 142 (1991)
Journal Article
Heller, H.; Grubmüller, H.; Schulten, K.: Molecular dynamics simulation on a parallel computer. Molecular simulation 5 (3-4), pp. 133 - 165 (1990)
Journal Article
Tavan, P.; Grubmüller, H.; Kühnel, H.: Self-organization of associative memory and pattern classification: recurrent signal processing on topological feature maps. Biological cybernetics 64 (2), pp. 95 - 105 (1990)
Journal Article
Grubmüller, H.; Heller, H.; Schulten, K.: Eine CRAY für "jedermann". mc Die Microcomputer-Zeitschrift (11), pp. 48 - 65 (1988)

Book (3)

Eichinger, M.; Heller, H.; Grubmueller, H.: EGO - An efficient molecular dynamics program and its application to protein dynamics simulations. World Scientific, Singapore (1999)
Moffat, M.; Changeux, J. P.; Crothers, D. M.; Grubmueller, H.; Nienhaus, G. U.; Palma, M. U.; Parak, F. G.; Schulten, K.; Warshel, A.: How does complexity lead to apparently simple function? Dahlem University Press, Berlin (1999)
Eichinger, M.; Heymann, B.; Heller, H.; Grubmueller, H.; Tavan, P.: Conformational dynamics simulations of proteins. Springer, Berlin (1998)

Book Chapter (9)

Book Chapter
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, pp. 517 - 543 (Eds. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)
Book Chapter
von Ardenne, B.; Grubmüller, H.: Single particle imaging with FEL using photon correlations. In: Nanoscale Photonic Imaging, pp. 435 - 455 (Eds. Salditt, T.; Egner, A.; Luke, D.). Springer, Cham (2020)
Book Chapter
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), pp. 722 - 730 (Eds. Bader, M.; Bode, A.; Bungartz, H. J.). IOS Press, Amsterdam (2014)
Book Chapter
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, pp. 57 - 76 (Ed. Beitz, E.). Springer, Berlin (2009)
Book Chapter
Grubmueller, H.; Seeger, S.; Tschesche, H.: Aufbau, Funktion und Diagnostik biogener Moleküle. In: Gase, Nanosysteme, Flüssigkeiten, pp. 977 - 1067 (Ed. Kleinermanns, K.). de Gruyter, Berlin (2006)
Book Chapter
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, pp. 404 - 405 (Eds. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)
Book Chapter
Grubmueller, H.: Force probe molecular dynamics simulations. In: Protein-ligand interactions; methods and applications, pp. 493 - 515 (Ed. Nienhaus, U.). Humana Pr., Totowa, NJ. (2005)
Book Chapter
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, pp. 401 - 421 (Eds. Attig, N.; Binder, K.; Grubmueller, H.; Kremer, K.). John von Neumann Institute for Computing, Jülich (2004)
Book Chapter
Tavan, P.; Grubmüller, H.: Selbstorganisation von Assoziativspeichern und Musterklassifikatoren: Rekurrente Signalverarbeitung auf topologischen Merkmalskarten. In: Kleinheubacher Berichte, Vol. 34, pp. 573 - 582 (1991)

Conference Paper (91)

Conference Paper
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, February 15, 2020 - February 19, 2020. Biophysical Journal 118 (Suppl_1), 3 Ed., pp. 31A - 32A (2020)
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