Biological and Medicinal Chemistry

Prediction of Dissociation Constant in Protein-Ligand Interaction

Authors

Abstract

In protein-ligand interactions, such as antigen-antibody interactions and hormone-receptor interactions, a correlation between the equilibrium dissociation constant KD and the reduced mass of the protein and ligand was found. The correlation of dissociation constants as pKD (-logKD) between literature values and predicted values was confirmed in high coefficient of determination R2 over 0.98.

Version notes

20210305-1

Content

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