Theoretical Study of Free Energy in Docking Stability of Azurin(II)‐Cytochrome c551(II) Complex System

The docking structure of the Azurin‐Cytochrome C551 is presented. We investigate a complex system of Azurin(II)‐Cytochrome C551(II) by using molecular dynamics simulation. We estimate some physical properties, such as root‐mean‐square deviation (RMSD), binding energy between Azurin and Cytochrome C551, distance between Azurin(II) and Cytochrome C551(II) through center of mass and each active site. We also discuss docking stability in relation to the configuration by free energy between Azurin(II)‐Cytochrome C551(II) and Azurin(I)‐Cytochrome C551(III).