Publications of the Department (MPG.PuRe list)
Journal Article (26)
1.
Journal Article
9 (45), pp. 10705 - 10718 (2013)
Interbilayer repulsion forces between tension-free lipid bilayers from simulation. Soft Matter 2.
Journal Article
21 (12), pp. 2162 - 2174 (2013)
Phosphorylation drives a dynamic switch in serine/arginine-rich proteins. Structure 3.
Journal Article
184 (12), pp. 2856 - 2859 (2013)
g_contacts: Fast contact search in bio-molecular ensemble data. Computer Physics Communications 4.
Journal Article
20 (12), pp. 1390 - 1396 (2013)
Energy barriers and driving forces in tRNA translocation through the ribosome. Nature Structural and Molecular Biology 5.
Journal Article
27 (10), pp. 845 - 858 (2013)
Computational analysis of local membrane properties. Journal of Computer-Aided Molecular Design 6.
Journal Article
52 (42), pp. 7397 - 7404 (2013)
How the dynamics of the metal-binding loop region controls the acid transition in cupredoxins. Biochemistry 7.
Journal Article
9 (9), e1003232 (2013)
Collective dynamics underlying allosteric transitions in hemoglobin. PLoS Computational Biology 8.
Journal Article
91 (9), pp. 839 - 846 (2013)
Constant pH simulations with the coarse-grained MARTINI model—Application to oleic acid aggregates. Canadian Journal of Chemistry 9.
Journal Article
111 (12-20), 127801 (2013)
Soft collective fluctuations governing hydrophobic association. Physical Review Letters 10.
Journal Article
14 (12), pp. 2687 - 2697 (2013)
Force distribution analysis of mechanochemically reactive dimethylcyclobutene. ChemPhysChem 11.
Journal Article
21 (8), pp. 1350 - 1360 (2013)
Structural determinants and mechanism of mammalian CRM1 allostery. Structure 12.
Journal Article
88 (1), 012116 (2013)
Linear response, fluctuation-dissipation, and finite-system-size effects in superdiffusion. Physical Review E 13.
Journal Article
61 (7), pp. 1101 - 1112 (2013)
Phosphorylation of rat aquaporin-4 at Ser111 is not required for channel gating. Glia 14.
Journal Article
3 (4), pp. 408 - 425 (2013)
Proteins in the gas phase. Wiley Interdisciplinary Reviews: Computational Molecular Science 15.
Journal Article
8 (6), e65617 (2013)
Quantifying disorder through conditional entropy: An application to fluid mixing. PLoS One 16.
Journal Article
9 (5), e1003058 (2013)
Probing the energy landscape of activation gating of the bacterial potassium channel KcsA. PLoS Computational Biology 17.
Journal Article
30 (3), pp. 246 - 260 (2013)
The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site. Molecular Membrane Biology 18.
Journal Article
138 (16), 164304 (2013)
Core hole screening and decay rates of double core ionized first row hydrides. The Journal of Chemical Physics 19.
Journal Article
4 (6), pp. 1005 - 1011 (2013)
Control mechanisms of photoisomerization in protonated Schiff bases. The Journal of Physical Chemistry Letters 20.
Journal Article
110 (12), pp. 4586 - 4591 (2013)
Crystal structure and functional mechanism of a human antimicrobial membrane channel. Proceedings of the National Academy of Sciences of the United States of America 21.
Journal Article
8 (1), pp. 249 - 256 (2013)
Discovery of novel human aquaporin-1 blockers. ACS Chemical Biology 22.
Journal Article
110 (3), pp. 960 - 965 (2013)
Structural basis for cooperativity of CRM1 export complex formation. Proceedings of the National Academy of Sciences of the United States of America 23.
Journal Article
110 (2), 020603 (2013)
Finite-time effects and ultraweak ergodicity breaking in superdiffusive dynamics. Physical Review Letters 24.
Journal Article
104 (1), pp. 196 - 207 (2013)
Optimal superpositioning of flexible molecule ensemble. Biophysical Journal 25.
Journal Article
184 (3), pp. 841 - 852 (2013)
In silico FRET from simulated dye dynamics. Computer physics communications 26.
Journal Article
20, pp. 679 - 686 (2013)
Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment. Nature Structural and Molecular Biology Book Chapter (1)
27.
Book Chapter
Introduction to QM/MM simulations. In: Biomolecular Simulations: Mehods and Protocols, pp. 43 - 66 (Eds. Monticelli, L.; Salonen, E.). Humana Pr.; Springer, New York (2013)