Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces

@article{TzuJen2015AccurateFF,
  title={Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces},
  author={Tzu-Jen and H. Heinz},
  journal={arXiv: Materials Science},
  year={2015}
}
  • Tzu-Jen, H. Heinz
  • Published 2015
  • Physics, Chemistry
  • arXiv: Materials Science
  • Mineralization of bone and teeth involves interactions between biomolecules and hydroxyapatite. Associated complex interfaces and processes remain difficult to analyze at the 1 to 100 nm scale using current laboratory techniques, and prior models for atomistic simulations are limited in the representation of chemical bonding, surface chemistry, and interfacial interactions. This work introduces an accurate force field along with pH-resolved surface models for hydroxyapatite to represent… CONTINUE READING
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