Chaitanya Sathe, Xueqing Zou, Jean-Pierre Leburton, and Klaus Schulten.
Computational investigation of DNA detection using graphene
nanopores.
ACS Nano, 5:8842-8851, 2011.
(PMC: 3222720)
SATH2011
Nanopore-based single-molecule detection and analysis have been
pursued intensively over the past decade. One of the most promising
applications in this regard is DNA sequencing achieved through DNA
translocation-induced blockades in ionic current. Recently, nanopores
fabricated in graphene sheets were used to detect double-stranded DNA.
Due to its sub-nanometer thickness, graphene nanopores show great
potential to realize DNA sequencing at single-base resolution.
Resolving at the atomic level electric field-driven DNA translocation
through graphene nanopores is crucial to guide the design of
graphene-based sequencing devices. Molecular dynamics simulations, in
principle, can achieve such resolution and are employed here to
investigate the effects of applied voltage, DNA conformation and
sequence as well as pore charge on the translocation characteristics
of DNA. We demonstrate that such simulations yield current
characteristics consistent with recent measurements and suggest that
under suitable bias conditions A-T and G-C base pairs can be
discriminated using graphene nanopores.
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