The Journal of Physical Chemistry Letters · 2011 · 57 citations · 39 references
Natural SciencesBiochemistryBiophysicsCarbohydrate BiochemistryGlycobiologyMolecular BiophysicsBiomolecular ThermodynamicsBiophysical ThermodynamicsHydration EffectsSolvation EffectsSolvation ModelingSolvation TheoryAqueous Solvent EffectsBulk Water EffectsHydration BehaviorHydration In FoldingHydration-driven StabilityPhase Behavior Of Biomolecular SystemsPolysaccharide HydrationSolvation In Biomolecular Simulations
We present evidence from molecular dynamics (MD) simulations that dynamics of water in the presence of trehalose and maltose shows two well distinct relaxations. In particular, the fraction of water molecules interacting with the sugar has a completely different dynamical behavior with respect to that of bulk-like water molecules. The analysis of the dynamic of hydration water molecules allows us to comprehend the differences between trehalose and maltose aqueous solutions and the microscopic mechanisms that cause a greater capability of trehalose in preserving biomolecules upon cooling.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
Relaxation processes in supercooled liquids
W. Götze, L. Sjögren · Reports on Progress in Physics · 1992 · 2.9K citations