Prediction of Dissociation Constant in Protein-Ligand Interaction

In protein-ligand interactions, such as antigen-antibody interactions and hormone-receptor interactions, a correlation between the equilibrium dissociation constant K D and the reduced mass of the protein and ligand was found. The correlation of dissociation constants as p K D (-log K D ) between literature values and predicted values was confirmed in high coefficient of determination R 2 over 0.98.