Publications of the Department (MPG.PuRe list)
Journal Article (19)
1.
Journal Article
10 (12), pp. 5505 - 5512 (2014)
AMBER-DYES: Characterization of charge fluctuations and force field parameterization of fluorescent dyes for molecular dynamics simulations. Journal of Chemical Theory and Computation 2.
Journal Article
107 (10), pp. 2287 - 2295 (2014)
Free energy landscape of rim-pore expansion in membrane fusion. Biophysical Journal 3.
Journal Article
47 (49), 492002 (2014)
Localisation and universal fluctuations in ultraslow diffusion processes. Journal of Physics A: Mathematical and Theoretical 4.
Journal Article
345 (6207), pp. 352 - 355 (2014)
Ion permeation in K+ channels occurs by direct Coulomb knock-on. Science 5.
Journal Article
16 (36), pp. 19365 - 19375 (2014)
Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy. Physical Chemistry Chemical Physics 6.
Journal Article
16, 092002 (2014)
Collective dynamics effect transient subdiffusion of inert tracers in flexible gel networks. New Journal of Physics 7.
Journal Article
53 (39), pp. 10367 - 10371 (2014)
A designed conformational shift to control protein binding specificity. Angewandte Chemie International Edition 8.
Journal Article
136 (32), pp. 11244 - 11247 (2014)
Position of transmembrane Helix 6 determines receptor G protein coupling specificity. Journal of the American Chemical Society 9.
Journal Article
90 (2), 022714 (2014)
Bayesian orientation estimate and structure information from sparse single-molecule x-ray diffraction images. Physical Review E 10.
Journal Article
111 (30), pp. 11043 - 11048 (2014)
Expansion of the fusion stalk and its implication for biological membrane fusion. Proceedings of the National Academy of Sciences of the United States of America 11.
Journal Article
107 (1), pp. 76 - 87 (2014)
Anomalous surface diffusion of protons on lipid membranes. Biophysical Journal 12.
Journal Article
136 (10), pp. 6960 - 6968 (2014)
Rotation triggers nucleotide-independent conformational transition of the empty beta subunit of F-1-ATPase. The Journal of the American Chemical Society 13.
Journal Article
89 (4), 040101(R) (2014)
First-passage statistics for aging diffusion in systems with annealed and quenched disorder. Physical Review E 14.
Journal Article
35 (8), pp. 657 - 671 (2014)
Explicit proton transfer in classical molecular dynamics simulations. Journal of Computational Chemistry 15.
Journal Article
106 (6), pp. 1338 - 1348 (2014)
Elastic properties and heterogeneous stiffness of the Phi29 motor connector channel. Biophysical Journal 16.
Journal Article
426 (2), pp. 362 - 376 (2014)
Spontaneous aggregation of the insulin-derived steric zipper peptide VEALYL results in different aggregation forms with common features. Journal of Molecular Biology 17.
Journal Article
16 (13), pp. 6118 - 6128 (2014)
Diffusion of finite-size particles in two-dimensional channels with random wall configurations. Physical Chemistry Chemical Physics 18.
Journal Article
10 (1), pp. 381 - 390 (2014)
Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge. Journal of Chemical Theory and Computation 19.
Journal Article
5 (5), pp. 1745 - 1749 (2014)
Thermodynamics of hydronium and hydroxide surface solvation. Chemical Science Book Chapter (1)
20.
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)