Table 1.

Dimensions of the simulation box, separation between the graphene sheets, and total number of atoms and water molecules of all simulated systems.

System	Box dimensions/nm	Separation between graphene sheets/nm	Total number of atoms	Number of water molecules
S-protein + graphene	17.09 × 17.18 × 63.00	21.00	618,318	192,178
S-protein	17.00 × 17.00 × 17.00		483,924	154,740
Graphene	17.09 × 17.18 × 15.00	5.00	155,127	44,349
Glycosylated RBD + graphene	14.51 × 14.48 × 48.00	16.00	339,526	103,873

RBD, receptor-binding domain.