Slow dynamics of hydration water and the trehalose dynamical transition
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.02.088
Abstract: Abstract We present results from molecular dynamics simulations of a solution of water and trehalose, a cryoprotecting disaccharide, upon cooling. We focus our attention on both the dynamics of hydration water and of the trehalose.… read more here.
Keywords: hydration water; water; dynamical transition; transition ... See more keywords
Ergodicity breaking of iron displacement in heme proteins.
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DOI: 10.1039/c7sm01561e
Abstract: We present a model of the dynamical transition of atomic displacements in proteins. Increased mean-square displacement at higher temperatures is caused by the softening of the force constant for atomic/molecular displacements by electrostatic and van… read more here.
Keywords: ergodicity breaking; dynamical transition; water; displacement ... See more keywords
Low-temperature librations and dynamical transition in proteins at differing hydration levels
Sign Up to like & getrecommendations! Published in 2022 at "Biomolecular Concepts"
DOI: 10.1515/bmc-2022-0007
Abstract: Abstract Hydration of water affects the dynamics and in turn the activity of biomacromolecules. We investigated the dependence of the librational oscillations and the dynamical transition on the hydrating conditions of two globular proteins with… read more here.
Keywords: hydration; low temperature; dynamical transition; hydration levels ... See more keywords