Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces.

@article{Notman2009MolecularDS,
  title={Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces.},
  author={Rebecca Notman and Tiffany R. Walsh},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2009},
  volume={25 3},
  pages={1638-44}
}
The interactions of silica surfaces with water and biomolecules are of considerable significance in bio- and nanotechnology and in geochemistry. An important goal in the fields of biomineralization and biomimetics is to fine-tune these interactions for the control, e.g., of assembly of materials at the nanoscale. Here we report molecular dynamics simulations of fully hydroxylated alpha-quartz (1010), (0001), and (0111) surfaces in explicit water. We also present free energy estimates of… CONTINUE READING
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