Fig. 6.

Short scale Molecular Dynamics Simulation studies to check the stability, strength and amount of interactions being maintained between protein and peptide. The first row represents the protein – ligand (here peptide) RMSDs with protein in blue and ligand in red color. The middle row represents the type and fraction of interactions maintained by various protein residues during simulation time. H-bond is represented in green, hydrophobic in purple, ionic in pink and water bridges in blue color. The bottom row also represents the extent of protein-peptide interactions for a given residue at a particular simulation time. In the timeline graph, darker the color more is the fraction of contacts between protein and peptide.