Search Results - "Halle, Bertil"
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How amide hydrogens exchange in native proteins
Published in Proceedings of the National Academy of Sciences - PNAS (18-08-2015)“…Amide hydrogen exchange (HX) is widely used in protein biophysics even though our ignorance about the HX mechanism makes data interpretation imprecise…”
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Thermal Signature of Hydrophobic Hydration Dynamics
Published in Journal of the American Chemical Society (06-08-2008)“…Hydrophobic hydration, the perturbation of the aqueous solvent near an apolar solute or interface, is a fundamental ingredient in many chemical and biological…”
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Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations
Published in The Journal of chemical physics (14-04-2011)“…One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a…”
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4
Transient Access to the Protein Interior: Simulation versus NMR
Published in Journal of the American Chemical Society (12-06-2013)“…Many proteins rely on rare structural fluctuations for their function, whereby solvent and other small molecules gain transient access to internal cavities. In…”
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Internal Water and Microsecond Dynamics in Myoglobin
Published in The journal of physical chemistry. B (27-11-2013)“…Myoglobin (Mb) binds diatomic ligands, like O2, CO, and NO, in a cavity that is only transiently accessible. Crystallography and molecular simulations show…”
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Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems
Published in The Journal of chemical physics (21-07-2016)“…In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by…”
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Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems
Published in The Journal of chemical physics (28-02-2016)“…In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by…”
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8
Protein hydration dynamics in solution: a critical survey
Published in Philosophical transactions of the Royal Society of London. Series B. Biological sciences (29-08-2004)“…The properties of water in biological systems have been studied for well over a century by a wide range of physical techniques, but progress has been slow and…”
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Hydration and Mobility of Trehalose in Aqueous Solution
Published in The journal of physical chemistry. B (02-08-2012)“…The disaccharide trehalose stabilizes proteins against unfolding, but the underlying mechanism is not well understood. Because trehalose is preferentially…”
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10
Cell water dynamics on multiple time scales
Published in Proceedings of the National Academy of Sciences - PNAS (29-04-2008)“…Water-biomolecule interactions have been extensively studied in dilute solutions, crystals, and rehydrated powders, but none of these model systems may capture…”
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11
Flexibility and Packing in Proteins
Published in Proceedings of the National Academy of Sciences - PNAS (05-02-2002)“…Structural flexibility is an essential attribute, without which few proteins could carry out their biological functions. Much information about protein…”
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12
Does the Dynamic Stokes Shift Report on Slow Protein Hydration Dynamics?
Published in The journal of physical chemistry. B (18-06-2009)“…The time-dependent fluorescence frequency shift of protein-attached probes has a much slower decay than that for the free probe. The decay times, ranging from…”
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Biomolecular Cryocrystallography: Structural Changes during Flash-Cooling
Published in Proceedings of the National Academy of Sciences - PNAS (06-04-2004)“…To minimize radiation damage, crystal structures of biological macromolecules are usually determined after rapid cooling to cryogenic temperatures, some…”
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14
Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations
Published in The Journal of chemical physics (28-05-2012)“…Structural dynamics in liquid water slow down dramatically in the supercooled regime. To shed further light on the origin of this super-Arrhenius temperature…”
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15
physical state of water in bacterial spores
Published in Proceedings of the National Academy of Sciences - PNAS (17-11-2009)“…The bacterial spore, the hardiest known life form, can survive in a metabolically dormant state for many years and can withstand high temperatures, radiation,…”
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16
Molecular Origin of Time-Dependent Fluorescence Shifts in Proteins
Published in Proceedings of the National Academy of Sciences - PNAS (27-09-2005)“…Time-resolved fluorescence spectroscopy is used increasingly to probe molecular motions at the aqueous interfaces of biological macromolecules and membranes…”
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17
dry ligand-binding cavity in a solvated protein
Published in Proceedings of the National Academy of Sciences - PNAS (29-04-2008)“…Ligands usually bind to proteins by displacing water from the binding site. The affinity and kinetics of binding therefore depend on the hydration…”
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18
Nanosecond to Microsecond Protein Dynamics Probed by Magnetic Relaxation Dispersion of Buried Water Molecules
Published in Journal of the American Chemical Society (06-02-2008)“…Large-scale protein conformational motions on nanosecond−microsecond time scales are important for many biological processes, but remain largely unexplored…”
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Biomolecular Hydration: From Water Dynamics to Hydrodynamics
Published in Proceedings of the National Academy of Sciences - PNAS (14-10-2003)“…Thermally driven rotational and translational diffusion of proteins and other biomolecules is governed by frictional coupling to their solvent environment…”
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Time scales of water dynamics at biological interfaces: peptides, proteins and cells
Published in Faraday discussions (01-01-2009)“…Water 2H and 17O spin relaxation is used to study water dynamics in the hydration layers of two small peptides, two globular proteins and in living cells of…”
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