Further insights into the properties of the interfaces emerged from charge transport calculations on a selection of representative MD snapshots based on tight-binding DFT combined with a coherent tunneling approach, revealing an exponential decrease in zero-bias conductance with increasing chain length for both dithiol and monothiol ligands. This finding qualitatively and quantitatively harmonized with theoretical models and experimental observations on GNP assemblies documented in the literature. In addition, a simplified geometric model suggests that the absolute values of our simulated zero-bias conductances for dithiolate-linked single interfaces quantitatively compare with the range of measured conductivities of cross-linked GNP assemblies.