Dataset for Graphene Functionalization towards Biodegradability of Graphene as Drug Carrier

The tar file comtains the following information on graphene oxide (GO) and its conjugates with polyethylene glycol (PEG) and polyethylene imine (PEI): PDB format coordinates of graphene oxide (GO) and its conjugates. System setup for the different systems. Disordered system trajectories for graphene oxide (GO) and conjugates in presence of HOCl. Excel data sheet with energy calculations for the above systems.