Publications of the Department (MPG.PuRe list)
Journal Article (22)
1.
Journal Article
122, pp. 3759 - 3771 (2009)
Kinase-activity-independent functions of atypical protein kinase C in Drosophila. Journal of Cell Science 2.
Journal Article
131 (38), pp. 13580 - 13581 (2009)
Hydrogen bonding controls excited-state decay of the photoactive yellow protein chromophore. Journal of the American Chemical Society 3.
Journal Article
5 (8), e1000480 (2009)
Detection of functional modes in protein dynamics. PLoS Computational Biology 4.
Journal Article
97 (2), pp. 581 - 589 (2009)
Molecular determinants of snurportin 1 ligand affinity and structural response upon binding. Biophysical Journal 5.
Journal Article
97 (2), pp. 599 - 608 (2009)
Secondary structure propensities in peptide folding simulations: A systematic comparison of molecular mechanics interaction schemes. Biophysical Journal 6.
Journal Article
10 (11), pp. 1816 - 1822 (2009)
Primary steps of pH-dependent insulin aggregation kinetics are governed by conformational flexibility. ChemBioChem 7.
Journal Article
76 (1), pp. 138 - 150 (2009)
Inclusion of ionization states of ligands in affinity calculations. Proteins: Structure, Function, and Bioinformatics 8.
Journal Article
76 (1), pp. 30 - 46 (2009)
Domain motions of hyaluronan lyase underlying processive hyaluronan translocation. Proteins: Structure, Function and Bioinformatics 9.
Journal Article
48 (28), pp. 5207 - 5210 (2009)
The thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 10.
Journal Article
96 (9), pp. 3744 - 3752 (2009)
Urea impedes the hydrophobic collapse of partially unfolded proteins. Biophysical Journal 11.
Journal Article
30 (7), pp. 1160 - 1166 (2009)
tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 12.
Journal Article
180 (3), pp. 455 - 458 (2009)
g_permute: Permutation-reduced phase space density compaction. Computer Physics Communications 13.
Journal Article
96 (4), pp. 1350 - 1363 (2009)
Mechanical properties of the icosahedral shell of southern bean mosaic virus: a molecular dynamics study. Biophysical Journal 14.
Journal Article
96 (3), pp. 925 - 938 (2009)
Determinants of water permeability through nanoscopic hydrophilic channels. Biophysical Journal 15.
Journal Article
30 (3), pp. 447 - 456 (2009)
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes. Journal of Computational Chemistry 16.
Journal Article
6 (1), pp. 3 - 4 (2009)
Predicting free energy changes using structural ensembles. Nature Methods 17.
Journal Article
131 (23), 234106 (2009)
Nonlinear diffusion in two-dimensional ordered porous media based on a free volume theory. The Journal of Chemical Physics 18.
Journal Article
38 (1), pp. 135 - 146 (2009)
Comment on the article “A new understanding of the relationship between solubility and particle size” by W. Wu and G.H. Nancollas. Journal of Solution Chemistry 19.
Journal Article
80 (1), 011913 (2009)
Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces. Physical Review E 20.
Journal Article
141, DOI: 10.1039/b811659h, pp. 67 - 79 (2009)
Ultrafast phase transitions in metastable water near liquid interfaces. Faraday Discussions 21.
Journal Article
19 (43), pp. 8176 - 8183 (2009)
Suspensions of modified TiO2 nanoparticles with supreme UV filtering ability. Journal of Materials Chemistry 22.
Journal Article
7 (2), pp. 22 - 25 (2009)
Simulation of a complete viral shell. Innovatives Supercomputing in Deutschland Book Chapter (3)
23.
Book Chapter
Excited state dynamics in biomolecules. In: Handbook of molecular biophysics, pp. 93 - 128 (Ed. Bohr, H. G.). Wiley-VCH, Weinheim (2009)
24.
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)
25.
Book Chapter
Protein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, pp. 217 - 249 (Ed. Rigden, D.J.). Springer, Dordrecht (2009)