Influence of the single-strand linker composition on the structural/dynamical properties of a truncated octahedral DNA nano-cage family

Biopolymers. 2014 Oct;101(10):992-9. doi: 10.1002/bip.22475.

Abstract

The structural/dynamical properties of three truncated octahedral DNA nano-cages composed by identical double helices but single strand linkers with different composition, namely 7 thymidines, 7 adenines, and 7 alternated thymidines and adenines, have been investigated through classical molecular dynamics simulations. Trajectories have been analyzed to investigate the role of the linkers in defining nano-cages stability and flexibility, including possible influence on the internal cages motions. The data indicate that the cages behavior is almost identical and that the structural/dynamical parameters measured along the trajectories are not particularly affected by the presence of different bases. These results demonstrate that the constraints imposed by the nano-structure geometry are the main factor in modulating these properties

MeSH terms

  • Base Sequence
  • DNA / chemistry*
  • Hydrogen Bonding
  • Molecular Sequence Data
  • Nanoparticles / chemistry*
  • Nucleic Acid Conformation*
  • Nucleotides / chemistry
  • Principal Component Analysis
  • Time Factors

Substances

  • Nucleotides
  • DNA