Publications of the Department (MPG.PuRe list)
Journal Article (25)
1.
Journal Article
286 (52), pp. 44319 - 44325 (2011)
Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice. Journal of Biological Chemistry 2.
Journal Article
107 (26), 267801 (2011)
Increase of both order and disorder in the first hydration shell with increasing solute polarity. Physical Review Letters 3.
Journal Article
50 (48), pp. 11437 - 11440 (2011)
Kinetics of conformational sampling in ubiquitin. Angewandte Chemie-International Edition 4.
Journal Article
133 (45), pp. 18452 - 18462 (2011)
Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors. Journal of the American Chemical Society 5.
Journal Article
155 (3), pp. 409 - 417 (2011)
Understanding controlled drug release from mesoporous silicates: Theory and experiment. Journal of Controlled Release 6.
Journal Article
39 (19), pp. 8281 - 8290 (2011)
Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 7.
Journal Article
101 (4), pp. 809 - 817 (2011)
Computational Electrophysiology: The molecular dynamics of ion channel Permeation and selectivity in atomistic detail. Biophysical Journal 8.
Journal Article
32 (9), pp. 1919 - 1928 (2011)
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. Journal of Computational Chemistry 9.
Journal Article
50 (27), pp. 6146 - 6156 (2011)
Computer simulations of structure-activity relationships for hERG channel blockers. Biochemistry 10.
Journal Article
115 (25), pp. 8364 - 8366 (2011)
Comment on “Molecular selectivity in aquaporin channels studied by the 3D-RISM theory”. The Journal of Physical Chemistry B 11.
Journal Article
115 (21), pp. 7021 - 7028 (2011)
Controlling the photoreactivity of the photoactive yellow protein chromophore by substituting at the p-coumaric acid group. The Journal of Physical Chemistry B 12.
Journal Article
7 (6), pp. 1962 - 1978 (2011)
Constant pH molecular dynamics in explicit solvent with lambda-dynamics. Journal of Chemical Theory and Computation 13.
Journal Article
18 (7), pp. 805 - 812 (2011)
Synaptotagmin-1 may be a distance regulator acting upstream of SNARE nucleation. Nature Structural and Molecular Biology 14.
Journal Article
6 (5), e19791 (2011)
Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach. PLoS One 15.
Journal Article
108 (18), pp. 7408 - 7413 (2011)
Torsional elasticity and energetics of F-1-ATPase. Proceedings of the National Academy of Sciences of the United States of America 16.
Journal Article
6 (5), e19129 (2011)
Mapping the conformational dynamics and pathways of spontaneous steric zipper peptide oligomerization. Plos One 17.
Journal Article
7 (5), pp. 1381 - 1393 (2011)
Keep it flexible: Driving macromolecular rotary motions in atomistic simulations with GROMACS. Journal of Chemical Theory and Computation 18.
Journal Article
12 (7), pp. 1049 - 1055 (2011)
Caught in the act: Visualization of SNARE-mediated fusion events in molecular detail. Chembiochem 19.
Journal Article
106 (14), 148102 (2011)
Curvature-dependent elastic properties of liquid-ordered domains result in inverted domain sorting on uniaxially compressed vesicles. Pysical Review Letters 20.
Journal Article
12 (5), pp. 1021 - 1022 (2011)
A decade of debate: Significance of CO2 permeation through membrane channels still controversial. Chemphyschem 21.
Journal Article
100 (4), pp. 1109 - 1119 (2011)
Velocity-dependent mechanical unfolding of bacteriorhodopsin is governed by a dynamic interaction network. Biophysical Journal 22.
Journal Article
92 (6), 60011 (2011)
Inversion of pore size dependence of solute transport kinetics from increasingly attractive ordered porous matrix. Europhysics Letters 23.
Journal Article
13 (3), pp. 15311 - 15317 (2011)
Modus operandi of controlled release from mesoporous matrices: A theoretical perspective. Physical Chemistry Chemical Physics 24.
Journal Article
13 (35), pp. 16046 - 16054 (2011)
The phase (trans)formation and physical state of a model drug in mesoscopic confinement. Physical Chemistry Chemical Physics 25.
Journal Article
479 (7374), doi:10.1038/nature10545, pp. 552 - 555 (2011)
Membrane protein sequestering by ionic protein–lipid interactions. Nature