Publications of H. Grubmüller
All genres
Journal Article (232)
221.
Journal Article
307, pp. 425 - 432 (1999)
Elastic properties of poly(ethylene-glycol) studied by molecular dynamics stretching simulations. Chemical Physics Letters 222.
Journal Article
19 (13), pp. 1534 - 1552 (1998)
Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they? Journal of computational chemistry 223.
Journal Article
18 (14), pp. 1729 - 1749 (1997)
FAMUSAMM: An algorithm for rapid evaluation of electrostatic interactions in molecular dynamics simulations. Journal of Computational Chemistry 224.
Journal Article
1997 (3), pp. 14 - 16 (1997)
Simulation eines molekularen Erkennungsvorgangs. Spektrum der Wissenschaft 225.
Journal Article
Ligand binding: Molecular mechanics calculation of the streptavidin-biotin rupture force. Science (5251), pp. 997 - 999 (1996)
226.
Journal Article
52 (3), pp. 2893 - 2906 (1995)
Predicting slow structural transitions in macromolecular systems: Conformational flooding. Physical Review E 227.
Journal Article
101 (6), pp. 5047 - 5057 (1994)
Molecular dynamics of conformational substates for a simplified protein model. Journal of Chemical Physics 228.
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 229.
Journal Article
6 (1-3), pp. 121 - 142 (1991)
Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Molecular Simulation 230.
Journal Article
5 (3-4), pp. 133 - 165 (1990)
Molecular dynamics simulation on a parallel computer. Molecular simulation 231.
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 232.
Journal Article
Eine CRAY für "jedermann". mc Die Microcomputer-Zeitschrift (11), pp. 48 - 65 (1988)
Book (3)
233.
Book
EGO - An efficient molecular dynamics program and its application to protein dynamics simulations. World Scientific, Singapore (1999)
234.
Book
How does complexity lead to apparently simple function? Dahlem University Press, Berlin (1999)
235.
Book
Conformational dynamics simulations of proteins. Springer, Berlin (1998)
Book Chapter (10)
236.
Book Chapter
Single Particle Imaging with FEL Using Photon Correlations. In: Nanoscale Photonic Imaging, pp. 435 - 455 (Eds. Salditt, T.; Egner, A.; Luke, D. R.). Springer, Cham (2020)
237.
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)
238.
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)
239.
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)
240.
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)