GRAPH SPECTRAL METHOD FOR FINDING THE CENTRE OF AMINO ACIDS

Chemical graph theory is a branch of graph theory that is concerned with analyses of all consequences of connectivity in a chemical graph. Recently, the tools from graph theory are being used to explore the structures of proteins. The spectral properties are made use in identifying important nodes, which contribute to the stability of clusters in protein structures such as cluster centers. The aim of this work is to find the centre of amino acid, the monomer unit of proteins, through the eigen values and eigen vectors of the adjacency matrices of corresponding chemical graphs and to compare the results with that of the calculations using eccentricity of atoms in the corresponding chemical graph.