Self-assembly of DNA on a gapped carbon nanotube. Academic Article

abstract

• We perform molecular dynamics simulations to analyze the wrapping process of a single-stranded (ss) DNA around a gapped CNT immersed in a bath of water. We observe the formation of a stable molecular junction with the ssDNA adopting a helical or circular conformation around one CNT electrode and a linear conformation around the opposite electrode. We find that DNA undergoes several conformational changes during equilibration of the self-assembled molecular junction. This process would allow a higher yield of successful CNT-DNA interconnections, which constitutes a novel structure of interest in chemical and biological sensing at the single-molecule level.

authors

• Seminario, Jorge

published proceedings

• J Mol Model

author list (cited authors)

• Bobadilla, A. D., & Seminario, J. M.

citation count

• 8

complete list of authors

• Bobadilla, Alfredo D||Seminario, Jorge M

publication date

• July 2012

publisher

• Springer Nature  Publisher

published in

• Journal of Molecular Modeling  Journal

keywords

• DNA
• DNA, Single-Stranded
• Hydrogen Bonding
• Molecular Dynamics Simulation
• Nanotubes, Carbon
• Nucleic Acid Conformation
• Static Electricity

PubMed Central ID

• 22252833

Digital Object Identifier (DOI)

• 10.1007/s00894-011-1341-8

start page

• 3291

end page

• 3300

volume

• 18

issue

• 7

URL

• http://dx.doi.org/10.1007/s00894-011-1341-8