Fig. 5: Results extracted from MD simulations of Z-GCN in the absence and presence of the polymer.

A Z-GCN root mean square deviation (RMSD). B Z-GCN root mean-square fluctuation (RMSF). C Z-GCN intra-molecular H-bonding. D H-bonding between Z-GCN and polymer. E Radial distribution function (RDF) between water molecules and Z-GCN. F RDF between Z-GCN and polymer residues. G Electrostatic interaction and Van der Waals binding energies between Z-GCN and polymer. H Total binding energies between Z-GCN and polymer. I Solvent-accessible surface area (SASA) of Z-GCN in the absence and presence of the polymer.