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Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchange. Biophysical Journal 401.
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Estimation of absolute solvent and solvation shell entropies via permutation reduction. Journal of Chemical Physics 404.
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Ultrafast deactivation channel for thymine dimerization. Journal of American Chemical Society 405.
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Photoswitching of the fluorescent protein asFP595: Mechanism, proton pathways, and absorption spectra. Angewandte Chemie-International Edition 407.
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Elastic properties of photoswitchable azobenzene polymers from molecular dynamics simulations. Angewandte Chemie International Edition 408.
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Aqueous urea solutions: Structure, energetics, and urea aggregation. Journal of Physical Chemistry B 409.
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Molecular anatomy of a trafficking organelle. Cell 410.
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Can principal components yield a dimension reduced description of protein dynamics on long time scales? Journal of Physical Chemistry B 411.
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Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics. Journal of Computational Chemistry 412.
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A highly strained nuclear conformation of the exportin Cse1p revealed by molecular dynamics simulations. Structure 415.
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The planar conformation of a strained proline ring: A QM/MM study. Proteins 416.
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Does CO2 permeate through Aquaporin-1? Biophysical Journal 417.
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Quaternary Ammonium Compounds as Water Channel Blockers. Journal of Biological Chemistry 418.
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Alternate structural conformations of Streptococcus pneumoniae hyaluronan lyase: Insights into enzyme flexibility and underlying molecular mechanism of action. Journal of Molecular Biology 419.
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Alternate Structural Conformations of Streptococcus pneumoniae Hyaluronan Lyase: Insights into Enzyme Flexibility and Underlying Molecular Mechanism of Action. Journal of Molecular Biology 420.
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Nonequilibrium dynamics in biomolecules. Chemical Physics 421.
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Proteindynamik-Simulationen. Molekulare Nanomaschinen unter der Lupe. Physik in unserer Zeit 422.
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Generalized correlation for biomolecular dynamics. Proteins: Structure, Function and Bioinformatics 423.
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Collective Langevin dynamics of conformational motions in proteins. Journal of Chemical Physics 424.
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Prediction of protein flexibility from geometrical constraints. Bio Tech Interantional 426.
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Sequential N-to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles. EMBO Journal 427.
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5, pp. 1 - 6 (2006)
Prediction of a RanGTP-induced conformational switch in the exportin CAS/Cse1p by molecular dynamics simulations. MPIbpc News 428.
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Alternative splicing of SNAP-25 regulates secretion through nonconservative substitutions in the SNARE domain. Molecular Biology of the Cell 429.
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Simulation of fluorescence anisotropy experiments: Probing protein dynamics. Biophysical Journal 430.
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Detecting protein-induced folding of the U4 snRNA kink-turn by single-molecule multiparameter FRET measurements. RNA 431.
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Structure and mechanism of the reversible photoswitch of a fluorescent protein. Proceedings of the National Academy of Sciences of the United States of America 432.
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Probing conformational disorder in neurotensin by two-dimensional solid-state NMR and comparison to molecular dynamics simulations. Biophysical Journal 433.
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The 5 angstrom structure of heterologously expressed plant aquaporin SoPIP2;1. Journal of Molecular Biology 434.
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The 4.5 Å structure of human AQP2. Journal of Molecular Biology 435.
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The dynamics and energetics of water permeation and proton exclusion in aquaporins. Current Opinion in Structural Biology 436.
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Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations. Biophysical Journal 437.
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Insight into the structure and mechanism of the reversible photoswitch of a fl uorescent protein. MPIBPC News 438.
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Molecular dynamics simulations of protein G challenge NMR-derived correlated backbone motions. Angewandte Chemie-International Edition 439.
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Mechanical properties of single motor molecules studied by three-dimensional thermal force probing in optical tweezers. ChemPhysChem 440.
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Differential peptide dynamics is linked to major histocompatibility complex polymorphism. Journal of Biological Chemistry 441.
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Cyclopropylidenes, bicyclopropylidenes, and vinylcarbenes - some modes of formation and preparative applications. Russian Chemical Bulletin 442.
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FRETsg: Biomolecular structure model building from multiple FRET experiments. Computer Physics Communications 443.
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Multistep binding of divalent cations to phospholipid bilayers: A molecular dynamics study. Angewandte Chemie-International Edition 444.
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Aquaporine: Die perfekten Wasserfilter der Zelle. Biospektrum 445.
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Single-molecule fluorescence resonance energy transfer reveals a dynamic equilibrium between closed and open conformations of syntaxin 1. Proceedings of the National Academy of Sciences of the United States of America 446.
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Maximum likelihood trajectories from single molecule fluorescence resonance energy transfer experiments. Journal of Chemical Physics 447.
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The mechanism of proton exclusion in the aquaporin-1 water channel. Journal of Molecular Biology 448.
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Conformational dynamics of the F-1-ATPase beta-subunit: A molecular dynamics study. Biophysical Journal 449.
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Effect of sodium chloride on a lipid bilayer. Biophysical Journal 450.
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What happens if the room at the bottom runs out? A close look at small water pores. Proceedings of the National Academy of Sciences of the United States of America 451.
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Mechanical coupling via the membrane fusion SNARE protein syntaxin 1A: A molecular dynamics study. Biophysical Journal 452.
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The structure of the aquaporin-1 water channel: A comparison between cryo-electron microscopy and X-ray crystallography. Journal of Molecular Biology 453.
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Progress in the analysis of membrane protein structure and function. FEBS Letters 454.
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Structure and flexibility of Streptococcus agalactiae hyaluronate lyase complex with its substrate - Insights into the mechanism of processive degradation of hyaluronan. Journal of Biological Chemistry 455.
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277 (31), pp. 28287 - 28297 (2002)
Mechanism of hyaluronan degradation by Streptococcus pneumoniae hyaluronate lyase - Structures of complexes with the substrate. Journal of Biological Chemistry 456.
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Structure and function of water channels. Current Opinion in Structural Biology 457.
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Membrane fusion. Current Opinion in Cell Biology 458.
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Water permeation through gramicidin A: Desformylation and the double helix: A molecular dynamics study. Biophysical Journal 459.
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Force spectroscopy of single biomolecules. ChemPhysChem 460.
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Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F-1-ATP synthase. Nature Structural Biology 461.
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Predicting unimolecular chemical reactions: Chemical flooding. Journal of Chemical Physics 462.
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A refined structure of human Aquaporin 1. FEBS Letters 467.
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Molecular dynamics force probe simulations of antibody/antigen unbinding: Entropic control and non-additivity of unbinding forces. Biophysical Journal 469.
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The fold of human Aquaporin 1. Journal of Molecular Biology 472.
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Dynamic force spectroscopy of molecular adhesion bonds. Physical Review Letters 473.
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Exocytosis requires asymmetry in the central layer of the SNARE complex. EMBO Journal 474.
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The 6.9Å Structure of GlpF: A Basis for Homology Modeling of the Glycerol Channel from Escherichia coli. Journal of Structural Biology 476.
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