Parcourir par sujet "Hydration"
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Detailed study of the dielectric function of a lysozyme solution studied with molecular dynamics simulations
(2015)The spread of microwave technology and new microwave applications in medicine have revitalized interest in the dielectric behavior of biological systems. In this work, the Fröhlich–Kirkwood approach and the linear response ... -
In silico study of levodopa in hydrated lipid bilayers at the atomistic level
(2021)This article presents atomistic molecular dynamics and umbrella sampling simulations of levodopa at various concentrations in hydrated cholesterol-free 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and cholesterol-containing ... -
Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrin
(2022)Fluoxetine, which is a well-known antidepressant drug, is studied in hydrated cholesterol-free and cholesterol-containing lipid bilayers through unbiased and biased atomistic molecular dynamics simulations. The latter are ... -
Scarping of artificially-nourished mixed sand and gravel beaches: Sedimentological characteristics of Hayling Island beach, Southern England
(2018)Beach cliffing is a wide-spread characteristic of artificially-replenished beaches, which has many undesirable engineering, environmental and economic consequences. A sedimentological study undertaken on the replenished ...