Molecular dynamic of the adsorption and mobility of biomolecules on graphene sheets

Aim. To reveal the differences in the dynamics of deoxyribonucleic acid (DNA) and its stabilizing protein on the surface of graphene, graphene oxide and in solution.

Methodology. Using the method of molecular dynamics in the all atom approximation, calculations of DNA bound to the DNA-stabilizing protein DPS (DNA-binding protein from starved cells) on the surface of graphene, graphene oxide and in solution were carried out.

Results. Based on the studies performed, it was shown that graphene substrates can affect the dynamics of proteins and DNA. In particular, they can limit the mobility of free protein regions, hindering their interaction with other molecules, and adsorb DNA, changing the structure of DPS – DNA complexes.

Research implications. The obtained data are of practical interest for researchers of the structure of biological molecules and their complexes on the surface of graphene substrates. Also, the data can be used to create bioinspired nanomaterials with desired properties. 

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