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Kinetics of Conformational Sampling in Ubiquitin.
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- Angewandte Chemie International Edition, 2011, v. 50, n. 48, p. 11437, doi. 10.1002/anie.201105086
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A 'Force Buffer' Protecting Immunoglobulin Titin.
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- Angewandte Chemie International Edition, 2010, v. 49, n. 20, p. 3528, doi. 10.1002/anie.200906388
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Elastic Properties of Photoswitchable Azobenzene Polymers from Molecular Dynamics Simulations.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 13, p. 2232, doi. 10.1002/anie.200604595
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- Article
Is TEA an inhibitor for human Aquaporin-1?
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- Pflügers Archiv: European Journal of Physiology, 2008, v. 456, n. 4, p. 663, doi. 10.1007/s00424-007-0422-0
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- Article
A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
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- Nature Communications, 2016, v. 7, n. 7, p. 12026, doi. 10.1038/ncomms12026
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- Article
Hydrophobic mismatch sorts SNARE proteins into distinct membrane domains.
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- Nature Communications, 2015, v. 6, n. 1, p. 5984, doi. 10.1038/ncomms6984
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Transient Secondary and Tertiary Structure Formation Kinetics in the Intrinsically Disordered State of α‐Synuclein from Atomistic Simulations.
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- ChemPhysChem, 2018, v. 19, n. 19, p. 2507, doi. 10.1002/cphc.201800504
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Membrane protein sequestering by ionic protein-lipid interactions.
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- Nature, 2011, v. 479, n. 7374, p. 552, doi. 10.1038/nature10545
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- Article
PspF-binding domain PspA<sub>1-144</sub> and the PspA· F complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins.
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- Molecular Microbiology, 2015, v. 98, n. 4, p. 743, doi. 10.1111/mmi.13154
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- Article
Energy barriers and driving forces in tRNA translocation through the ribosome.
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- Nature Structural & Molecular Biology, 2013, v. 20, n. 12, p. 1390, doi. 10.1038/nsmb.2690
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Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment.
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- Nature Structural & Molecular Biology, 2013, v. 20, n. 6, p. 679, doi. 10.1038/nsmb.2570
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Synaptotagmin-1 may be a distance regulator acting upstream of SNARE nucleation.
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- Nature Structural & Molecular Biology, 2011, v. 18, n. 7, p. 805, doi. 10.1038/nsmb.2061
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- Article
Molecular Dynamics Simulations of Protein G Challenge NMR-Derived Correlated Backbone MotionsWe thank Christian Griesinger, Sander Nabuurs, and Martin Stone for carefully reading the manuscript.
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- Angewandte Chemie, 2005, v. 117, n. 22, p. 3460, doi. 10.1002/ange.200462957
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- Article
Titelbild: Schrittweise Bindung zweiwertiger Kationen an Phospholipid-Membranen: eine Moleküldynamikstudie (Angew. Chem. 8/2004).
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- Angewandte Chemie, 2004, v. 116, n. 8, p. 929, doi. 10.1002/ange.200490018
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- Article
Schrittweise Bindung zweiwertiger Kationen an Phospholipid-Membranen: eine Moleküldynamikstudie ( Diese Arbeit wurde durch EU-BIOTECH-Programme (Projekte QLRT-2000/00778 und QLRT-2000/00504) und die Gesellschaft für wissenschaftliche Datenverarbeitung Göttingen (Computerzeit) unterstützt. Wir danken B. de Groot, T. Heimburg, G. Schröder, C. Schütte und P. Vöhringer für anregende Diskussionen und für das sorgfältige Lesen des Manuskriptes sowie B. de Groot für seine Hilfe mit dem GROMACS-Programm. )
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- Angewandte Chemie, 2004, v. 116, n. 8, p. 1039, doi. 10.1002/ange.200352784
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Structure determination from single molecule X-ray scattering with three photons per image.
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- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-04830-4
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- Article
Polar or Apolar--The Role of Polarity for Urea-Induced Protein Denaturation.
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- PLoS Computational Biology, 2008, v. 4, n. 11, p. 1, doi. 10.1371/journal.pcbi.1000221
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- Article
Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595.
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- PLoS Computational Biology, 2008, v. 4, n. 3, p. 1, doi. 10.1371/journal.pcbi.1000034
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- Article
Kinetics of Conformational Sampling in Ubiquitin.
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- Angewandte Chemie, 2011, v. 123, n. 48, p. 11639, doi. 10.1002/ange.201105086
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- Publication type:
- Article
Ein 'Kraftpuffer' schützt Titinimmunglobulin.
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- Angewandte Chemie, 2010, v. 122, n. 20, p. 3607, doi. 10.1002/ange.200906388
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- Article
Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics.
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- Journal of Biomolecular NMR, 2008, v. 41, n. 3, p. 139, doi. 10.1007/s10858-008-9244-4
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- Article
Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24674-9
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- Article
Tight docking of membranes before fusion represents a metastable state with unique properties.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-23722-8
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Proteins in the gas phase.
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- WIREs: Computational Molecular Science, 2013, v. 3, n. 4, p. 408, doi. 10.1002/wcms.1130
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Quantifying Disorder through Conditional Entropy: An Application to Fluid Mixing.
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- PLoS ONE, 2013, v. 8, n. 6, p. 1, doi. 10.1371/journal.pone.0065617
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- Article
Line-Tension Controlled Mechanism for Influenza Fusion.
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- PLoS ONE, 2012, v. 7, n. 6, p. 1, doi. 10.1371/journal.pone.0038302
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Exploring Protein Dynamics Space: The Dynasome as the Missing Link between Protein Structure and Function.
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- PLoS ONE, 2012, v. 7, n. 5, p. 1, doi. 10.1371/journal.pone.0033931
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Estimating Absolute Configurational Entropies of Macromolecules: The Minimally Coupled Subspace Approach.
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- PLoS ONE, 2010, v. 5, n. 2, p. 1, doi. 10.1371/journal.pone.0009179
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More bang for your buck: Improved use of GPU nodes for GROMACS 2018.
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- Journal of Computational Chemistry, 2019, v. 40, n. 27, p. 2418, doi. 10.1002/jcc.26011
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Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
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- Journal of Computational Chemistry, 2016, v. 37, n. 21, p. 2038, doi. 10.1002/jcc.24386
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Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
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- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1990, doi. 10.1002/jcc.24030
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- Article
Effects of cryo-EM cooling on structural ensembles.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29332-2
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- Article
Linear-scaling soft-core scheme for alchemical free energy calculations.
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- Journal of Computational Chemistry, 2012, v. 33, n. 1, p. 25, doi. 10.1002/jcc.21938
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Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
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- Journal of Computational Chemistry, 2011, v. 32, n. 9, p. 1919, doi. 10.1002/jcc.21776
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- Article
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
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- Journal of Computational Chemistry, 2010, v. 31, n. 11, p. 2169, doi. 10.1002/jcc.21507
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- Article
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes.
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- Journal of Computational Chemistry, 2009, v. 30, n. 3, p. 447, doi. 10.1002/jcc.21073
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Speeding up parallel GROMACS on high-latency networks.
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- Journal of Computational Chemistry, 2007, v. 28, n. 12, p. 2075, doi. 10.1002/jcc.20703
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Flooding in <MONO>GROMACS</MONO>: Accelerated barrier crossings in molecular dynamics.
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- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1693, doi. 10.1002/jcc.20473
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- Article
Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?
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- Journal of Computational Chemistry, 1998, v. 19, n. 13, p. 1534, doi. 10.1002/(SICI)1096-987X(199810)19:13<1534::AID-JCC10>3.0.CO;2-I
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Full correlation analysis of conformational protein dynamics.
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- Proteins, 2008, v. 70, n. 4, p. 1294, doi. 10.1002/prot.21618
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Generalized correlation for biomolecular dynamics.
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- Proteins, 2006, v. 62, n. 4, p. 1053, doi. 10.1002/prot.20784
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- Article
Sequential N- to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles.
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- EMBO Journal, 2006, v. 25, n. 5, p. 955, doi. 10.1038/sj.emboj.7601003
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Exocytosis requires asymmetry in the central layer of the SNARE complex.
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- EMBO Journal, 2000, v. 19, n. 22, p. 6000, doi. 10.1093/emboj/19.22.6000
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Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel.
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- Nucleic Acids Research, 2022, v. 50, n. 4, p. 2258, doi. 10.1093/nar/gkac038
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- Article
Choice of fluorophore affects dynamic DNA nanostructures.
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- Nucleic Acids Research, 2021, v. 49, n. 7, p. 4186, doi. 10.1093/nar/gkab201
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Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation.
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- Nucleic Acids Research, 2015, v. 43, n. 14, p. 6747, doi. 10.1093/nar/gkv649
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Towards computional specificity screening of DNA-binding proteins.
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- Nucleic Acids Research, 2011, v. 39, n. 19, p. 8281, doi. 10.1093/nar/gkr531
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- Article
Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-48027-4
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- Article
Corrigendum: Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail.
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- ChemBioChem, 2011, v. 12, n. 9, p. 1293, doi. 10.1002/cbic.201190038
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Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail.
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- ChemBioChem, 2011, v. 12, n. 7, p. 1049, doi. 10.1002/cbic.201100020
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- Article