Publications of H. Grubmueller
All genres
Book (3)
241.
Book
EGO - An efficient molecular dynamics program and its application to protein dynamics simulations. World Scientific, Singapore (1999)
242.
Book
How does complexity lead to apparently simple function? Dahlem University Press, Berlin (1999)
243.
Book
Conformational dynamics simulations of proteins. Springer, Berlin (1998)
Book Chapter (10)
244.
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)
245.
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)
246.
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)
247.
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)
248.
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)
249.
Book Chapter
Aufbau, Funktion und Diagnostik biogener Moleküle. In: Gase, Nanosysteme, Flüssigkeiten, pp. 977 - 1067 (Ed. Kleinermanns, K.). de Gruyter, Berlin (2006)
250.
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)
251.
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)
252.
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.; 253.
Book Chapter
34, pp. 573 - 582 (1991)
Selbstorganisation von Assoziativspeichern und Musterklassifikatoren: Rekurrente Signalverarbeitung auf topologischen Merkmalskarten. In: Kleinheubacher Berichte, Vol. Conference Paper (91)
254.
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 255.
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 256.
Conference Paper
118 (Suppl_1), 3 Ed., p. 141A - 141A (2020)
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, February 15, 2020 - February 19, 2020. Biophysical Journal 257.
Conference Paper
118 (Suppl_1), 3 Ed., p. 138A - 138A (2020)
A versatile Lambda-dynamics module for GROMACS. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, February 15, 2020 - February 19, 2020. Biophysical Journal 258.
Conference Paper
118 (Suppl_1), 3 Ed., p. 139A - 139A (2020)
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, February 15, 2020 - February 19, 2020. Biophysical Journal 259.
Conference Paper
48 (Suppl 1), p. S52 - S52 (2019)
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, July 20, 2019 - July 24, 2019. European Biophysics Journal 260.
Conference Paper
48 (Suppl 1), p. S126 - S126 (2019)
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, July 20, 2019 - July 24, 2019. European Biophysics Journal