Dynamics of DNA encapsulated in a hydrophobic nanotube

Edmond Y Lau, Felice C Lightstone, Michael E. Colvin

Research output: Contribution to journalArticlepeer-review

28 Scopus citations


The structural effects on DNA double helices of confinement in hydrophobic nanotubes (NT) with 30 and 40 Å diameters have been studied by classical molecular dynamics. For systems with the counter ions included inside the NT, there is little effect on the average DNA secondary structure relative to unconfined DNA. The DNA confined to the 40 Å NT shows little change in thermal fluctuations compared to unconfined DNA; however, a decrease is observed in the 30 Å NT. Finally, exclusion of ions from the NT leads to structures that deviate significantly from both canonical A- and B-DNA. Published by Elsevier B.V.

Original languageEnglish (US)
Pages (from-to)82-87
Number of pages6
JournalChemical Physics Letters
Issue number1-3
StatePublished - Aug 25 2005
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics


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