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Prediction of Dissociation Constant in Protein-Ligand Interaction

05 March 2021, Version 1
Working Paper
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

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.

Keywords

dissociation constants
protein-ligand interactions
prediction
reduced mass
correlation

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Version History

Mar 05, 2021 Version 1

Version Notes

20210305-1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14167586.v1
D O I: 10.26434/chemrxiv.14167586.v1 [opens in a new tab]

Author’s competing interest statement

No conflict of interest

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