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

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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.

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Authors and Affiliations

  1. Department of Materials Science and Engineering, North Carolina State University, Raleigh, 27695, NC, USA

    Ho Shin Kim, Sabrina M. Huang & Yaroslava G. Yingling

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  1. Ho Shin Kim
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  2. Sabrina M. Huang
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  3. Yaroslava G. Yingling
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Kim, H.S., Huang, S.M. & Yingling, Y.G. Sequence dependent interaction of single stranded DNA with graphitic flakes: atomistic molecular dynamics simulations. MRS Advances 1, 1883–1889 (2016). https://doi.org/10.1557/adv.2016.91

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