A review on QM/MM studies of nucleic bases interactions with graphene and carbon nanotubes

Nucleic bases interaction with carbonaceous materials finds significant attention due to their application in various fields such as DNA sequencing, DNA sensing and drug delivery. Nucleic bases, building blocks of nucleic acids interact with carbon nanotube and contribute significantly to the stability of the nucleic bases, carbon nanotube hybrids and their properties. In the present work, a thorough review of previous studies on the binding of nucleic bases with graphene and CNT is presented, with a focus on the simulation works that attempted to evaluate the structure and strength of binding. Dissimilitude among these works is noticed and factors that might contribute to such discrepancies are discussed in detail.