Molecular Simulation of Transport of DNA Grafted Nanoparticles

Gold nanoparticles grafted with DNA chains (DNA-AuNPs) have been the focus of intense research in recent years due to their potential applications in nanomedicine. However, the exact role played by hybridization in the self-assembly of these systems, as well as its impact on their flow properties have remained poorly understood. In this work, we carry out non-equilibrium molecular dynamics (NEMD) simulation to study transport processes of DNA-AuNPs in solution and to send light on the extent of hybridization under shear.