Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
نویسندگان
چکیده
منابع مشابه
Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces.
The adsorption of a collagen fragment on both a hydrophobic, hydrogen-terminated and a hydrophilic, natively oxidised Si surface is investigated using all-atom molecular dynamics. While favourable direct protein-surface interactions via localised contact points characterise adhesion to the hydrophilic surface, evenly spread surface/molecule contacts and stabilisation of the helical structure oc...
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We use molecular dynamics simulations of the SPC-E model of liquid water to derive probability distributions for water density fluctuations in probe volumes of different shapes and sizes, both in the bulk as well as near hydrophobic and hydrophilic surfaces. Our results are obtained with a biased sampling of coarse-grained densities that is easily combined with molecular dynamics integration al...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2009
ISSN: 1463-9076,1463-9084
DOI: 10.1039/b816125a