Role of host layer flexibility in DNA guest intercalation revealed by computer simulation of layered nanomaterials.

@article{Thyveetil2008RoleOH,
  title={Role of host layer flexibility in DNA guest intercalation revealed by computer simulation of layered nanomaterials.},
  author={Mary-Ann Thyveetil and Peter V. Coveney and Hugh Christopher Greenwell and James L. Suter},
  journal={Journal of the American Chemical Society},
  year={2008},
  volume={130 37},
  pages={12485-95}
}
Layered double hydroxides (LDHs) have been shown to form staged intermediate structures in experimental studies of intercalation. However, the mechanism by which staged structures are produced remains undetermined. Using molecular dynamics simulations, we show that LDHs are flexible enough to deform around bulky intercalants such as deoxyribonucleic acid (DNA). The flexibility of layered materials has previously been shown to affect the pathway by which staging occurs. We explore three possible… CONTINUE READING