Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.

Authors :: Rimola A
Corno M
Zicovich-Wilson CM
Ugliengo P
Source :: Journal of the American Chemical Society [J Am Chem Soc] 2008 Dec 03; Vol. 130 (48), pp. 16181-3.
Publication Year :: 2008
Abstract: How does glycine adsorb at hydroxyapatite surfaces? Ab initio simulations based on periodic B3LYP GTO calculations reveal the detailed mechanism of binding to the (001) and (010) surfaces by shedding light on how acid and basic amino acid residues of proteins interact with hydroxyapatite based biomaterials.

Subjects :: Adsorption
Computer Simulation
Glycine chemistry
Models, Molecular
Protein Structure, Tertiary
Surface Properties
Biocompatible Materials chemistry
Durapatite chemistry
Proteins chemistry

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