To theoretically evaluate the structural stability of few-layers graphene and/or graphene/yeast membrane cells, we carried out fully atomistic Molecular Dynamics (MD) simulations, as implemented in the open-source code LAMMPS. The well-known Universal Force-Field (UFF) formalism was used to calculate the interatomic interactions and/or configurational energies. For creating the simulation box, initially, a supercell of 50 Å x 80 Å x 135 Å was created that includes a 20 Å vacuum along with two layers of graphite confined between membrane yeast cells. 20 Å buffer vacuum was used to avoid spurious interactions of the supercell replication. Another supercell was created with the same dimension for the six-layers graphite structure. As discussed above, this was used to determine the thickness relationship with the exfoliation mechanism contributing to yield. The outer cell membrane of the yeast is modeled as a phospholipid bilayer made of phosphatidylcholine (POPC) molecules commensurate with the dimensions of the graphene-layered structures. The structural data of the models are available upon request. For performing the simulations on the layered structures, a variable cell relaxation calculation was performed to equilibrate the yeast cell layers by constraining the graphite layers and to eliminate any bad contacts generated from the layer/membrane building processes. To further avoid any residual structural stresses, NVT equilibration MD runs were performed during 100 ps. Finally, the confined shear simulations were performed to examine the exfoliation mechanism by removing the constraints from graphite layers, setting wall velocity (U) to 5Å/ps and simulation time (t) as 100ps. This kind of simulation protocol has been extensively used in the literature.