DNA Sequencing Using Functionalized Graphene Nanopore: A Molecular Dynamics Study

DNA translocation/sequencing through a solid-state functionalized graphene nanopore with the aid of constant velocity steered molecular dynamics simulation was studied. Hydrogen atoms and hydroxyl molecules have been used to functionalize the nanopore. Phosphorus atom of the DNA backbone has been pulled during translocation and then the pulling force variation was tracked to verify the distinction between bases. Besides, the rotation of the base plane with respect to the graphene plane, called beta angle, was also evaluated during translocation. The results show that cytosine, guanine, and thymine are distinguishable by this method. Employing the capabilities of the current method and considering the unique potentials of two-dimensional solid-state nanostructures, can shed light on the design of a new generation of protein sequencing machines for the Human Genome Project (HGP).