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Sequence dependent interaction of single stranded DNA with graphitic flakes: atomistic molecular dynamics simulations

Published online by Cambridge University Press:  05 February 2016

Ho Shin Kim ,
Sabrina M. Huang  and
Yaroslava G. Yingling
Ho Shin Kim
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695, U.S.A.
Sabrina M. Huang
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695, U.S.A.
Yaroslava G. Yingling*
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695, U.S.A.
*
*(Email: [email protected])
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Abstract

In an attempt to understand the structure and dynamics of ssDNA on graphene based surfaces, we performed all-atom implicit solvent molecular dynamics simulations of ssDNA on graphene and graphene oxide (GO) surfaces. Simulations indicate that adsorption of poly(A), poly(T) and poly (AT) have similar mechanisms of adsorption to free standing graphitic flakes, which are governed by a surface oxygen content. Specifically, higher oxygen content of a surface leads to decrease in persistence length of ssDNA. However, the role of DNA sequence on the physisorption mechanism is minimal.

Keywords

simulationsensorbiomaterial
Type
Articles
Information
MRS Advances , Volume 1 , Issue 25: Theory, Characterization, and Modeling , 2016 , pp. 1883 - 1889
Copyright
Copyright © Materials Research Society 2016 

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References

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