Publications of H. Grubmüller
All genres
Journal Article (226)
221.
Journal Article
101 (6), pp. 5047 - 5057 (1994)
Molecular dynamics of conformational substates for a simplified protein model. Journal of Chemical Physics 222.
Journal Article
11 (4), p. 258 (1993)
BR at work: a computeranimation for the 13-14-cis-model of the photochemical cycle of bacteriorhodopsin. Journal of molecular graphics 223.
Journal Article
6 (1-3), pp. 121 - 142 (1991)
Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Molecular Simulation 224.
Journal Article
5 (3-4), pp. 133 - 165 (1990)
Molecular dynamics simulation on a parallel computer. Molecular simulation 225.
Journal Article
64 (2), pp. 95 - 105 (1990)
Self-organization of associative memory and pattern classification: recurrent signal processing on topological feature maps. Biological cybernetics 226.
Journal Article
Eine CRAY für "jedermann". mc Die Microcomputer-Zeitschrift (11), pp. 48 - 65 (1988)
Book (3)
227.
Book
EGO - An efficient molecular dynamics program and its application to protein dynamics simulations. World Scientific, Singapore (1999)
228.
Book
How does complexity lead to apparently simple function? Dahlem University Press, Berlin (1999)
229.
Book
Conformational dynamics simulations of proteins. Springer, Berlin (1998)
Book Chapter (9)
230.
Book Chapter
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)
231.
Book Chapter
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)
232.
Book Chapter
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)
233.
Book Chapter
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)
234.
Book Chapter
Aufbau, Funktion und Diagnostik biogener Moleküle. In: Gase, Nanosysteme, Flüssigkeiten, pp. 977 - 1067 (Ed. Kleinermanns, K.). de Gruyter, Berlin (2006)
235.
Book Chapter
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)
236.
Book Chapter
Force probe molecular dynamics simulations. In: Protein-ligand interactions; methods and applications, pp. 493 - 515 (Ed. Nienhaus, U.). Humana Pr., Totowa, NJ. (2005)
237.
Book Chapter
Grubmueller, H.; Kremer, K.). John von Neumann Institute for Computing, Jülich (2004)
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.; 238.
Book Chapter
34, pp. 573 - 582 (1991)
Selbstorganisation von Assoziativspeichern und Musterklassifikatoren: Rekurrente Signalverarbeitung auf topologischen Merkmalskarten. In: Kleinheubacher Berichte, Vol. Conference Paper (83)
239.
Conference Paper
118 (Suppl_1), 3 Ed., pp. 31A - 32A (2020)
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 240.
Conference Paper
118 (3, Suppl. 1), p. 140A - 140A (2020)
Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, February 15, 2020 - February 19, 2020. Biophysical Journal