These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Prediction of Dissociation Constant in Protein-Ligand Interaction
preprintsubmitted on 05.03.2021, 04:22 and posted on 05.03.2021, 13:11 by Masatoshi Kawashima
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.