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159 (7), S. 1532 - 1541 (2010)
The anti-protozoal drug pentamidine blocks KIR2.x-mediated inward rectifier current by entering the cytoplasmic pore region of the channel. British Journal of Pharmacology 152.
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5 (3), S. 455 - 467 (2010)
Toward a consensus model of the hERG potassium channel. ChemMedChem 153.
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6 (1), e1000634 (2010)
Conformational transitions upon ligand binding: Holo-structure prediction from apo conformations. PLoS Computational Biology 154.
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12 (35), S. 10246 - 10254 (2010)
Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin. Physical Chemistry Chemical Physics 155.
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298 (1), S. F224 - F230 (2010)
A plate reader-based method for cell water permeability measurement. American Journal of Physiology 156.
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5 (8), e1000480 (2009)
Detection of functional modes in protein dynamics. PLoS Computational Biology 157.
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97 (2), S. 599 - 608 (2009)
Secondary structure propensities in peptide folding simulations: A systematic comparison of molecular mechanics interaction schemes. Biophysical Journal 158.
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76 (1), S. 30 - 46 (2009)
Domain motions of hyaluronan lyase underlying processive hyaluronan translocation. Proteins: Structure, Function and Bioinformatics 159.
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48 (28), S. 5207 - 5210 (2009)
The thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 160.
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30 (7), S. 1160 - 1166 (2009)
tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 161.
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96 (3), S. 925 - 938 (2009)
Determinants of water permeability through nanoscopic hydrophilic channels. Biophysical Journal 162.
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6 (1), S. 3 - 4 (2009)
Predicting free energy changes using structural ensembles. Nature Methods 163.
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36 (6), S. 1433 - 1437 (2008)
Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions 164.
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16 (8), S. 1175 - 1182 (2008)
The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure 165.
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41 (3), S. 139 - 155 (2008)
Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Journal of Biomolecular NMR 166.
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320 (5882), S. 1471 - 1475 (2008)
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 167.
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16 (6), S. 906 - 915 (2008)
Importin-β: structural and dynamic determinants of a molecular spring. Structure 168.
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16 (5), S. 747 - 754 (2008)
The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation. Structure 169.
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377 (2), S. 352 - 363 (2008)
Vacuolar protein sorting: two different functional states of the AAA-ATPase Vps4p. Journal of Molecular Biology 170.
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105 (4), S. 1198 - 1203 (2008)
Mechanism of selectivity in aquaporins and aquaglyceroporins. Proceedings of the National Acadamy of Sciences of the United States of America 171.
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95, S. 1837 - 1850 (2008)
Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophysical Journal 172.
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456 (4), S. 663 - 669 (2008)
Is TEA an inhibitor for human Aquaporin-1? Pfluegers Archiv 173.
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95, S. 2275 - 2282 (2008)
Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels. Biophysical Journal 174.
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15 (11), S. 1482 - 1492 (2007)
Geometry-based sampling of conformational transitions in proteins. Structure 175.
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93 (9), S. 3156 - 3168 (2007)
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments. Biophysical Journal 176.
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36 (8), S. 919 - 931 (2007)
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments. European Biophysical Journal 177.
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68 (3), S. 595 - 601 (2007)
Atomic contacts in protein structures. A detailed analysis of atomic radii, packing, and overlaps. Proteins-Structure Function and Bioinformatics 178.
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92 (11), S. 3930 - 3937 (2007)
Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length. Biophysical Journal 179.
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92, S. 4262 - 4270 (2007)
Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchange. Biophysical Journal 180.
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28 (12), S. 2075 - 2084 (2007)
Speeding up parallel GROMACS on high-latency networks. Journal of Computational Chemistry 181.
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127 (4), S. 831 - 846 (2006)
Molecular anatomy of a trafficking organelle. Cell 182.
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14 (10), S. 1567 - 1576 (2006)
Ligand-release pathways in the pheromone-binding protein of Bombyx mori. Structure 183.
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14 (9), S. 1469 - 1478 (2006)
A highly strained nuclear conformation of the exportin Cse1p revealed by molecular dynamics simulations. Structure 184.
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91 (3), S. 842 - 848 (2006)
Does CO2 permeate through Aquaporin-1? Biophysical Journal 185.
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Quaternary Ammonium Compounds as Water Channel Blockers. Journal of Biological Chemistry 186.
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358 (4), S. 1165 - 1178 (2006)
Alternate structural conformations of Streptococcus pneumoniae hyaluronan lyase: Insights into enzyme flexibility and underlying molecular mechanism of action. Journal of Molecular Biology 187.
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358 (4), S. 1165 - 1178 (2006)
Alternate Structural Conformations of Streptococcus pneumoniae Hyaluronan Lyase: Insights into Enzyme Flexibility and Underlying Molecular Mechanism of Action. Journal of Molecular Biology 188.
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37, S. 73 - 79 (2006)
Proteindynamik-Simulationen. Molekulare Nanomaschinen unter der Lupe. Physik in unserer Zeit 189.
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Mobility of a One-Dimensional Confined File of Water Molecules as a Function of File Length. Physical Review Letters 190.
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18, S. 20 - 22 (2006)
Prediction of protein flexibility from geometrical constraints. Bio Tech Interantional 191.
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Sequential N-to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles. EMBO Journal 192.
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Prediction of a RanGTP-induced conformational switch in the exportin CAS/Cse1p by molecular dynamics simulations. MPIbpc News 193.
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Alternative splicing of SNAP-25 regulates secretion through nonconservative substitutions in the SNARE domain. Molecular Biology of the Cell 194.
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Probing conformational disorder in neurotensin by two-dimensional solid-state NMR and comparison to molecular dynamics simulations. Biophysical Journal 195.
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350 (4), S. 611 - 616 (2005)
The 5 angstrom structure of heterologously expressed plant aquaporin SoPIP2;1. Journal of Molecular Biology 196.
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350 (2), S. 278 - 289 (2005)
The 4.5 Å structure of human AQP2. Journal of Molecular Biology 197.
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The dynamics and energetics of water permeation and proton exclusion in aquaporins. Current Opinion in Structural Biology 198.
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Molecular dynamics simulations of protein G challenge NMR-derived correlated backbone motions. Angewandte Chemie-International Edition 199.
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