Molecular dynamic simulations of interactions between LDH and DNA bio-nanocomplex

Tran, P.; Smith, S.; Wong, Y.; Lu, G. Q.

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Molecular dynamic simulations of interactions between LDH and DNA bio-nanocomplex

Date

2008

Authors

Abstract

We are using molecular dynamics computer simulation to understand the structure of layered double hydroxides and intercalated DNA strands. The conformational changes of layered double hydroxides depends greatly on the nature of counterions, for example the interlayer spacing can increase from 8.1Å to 19.1Å. We also compare these deformations to previous experimental structures. We observed important modifications of the crystal structure on a and b cell parameters.