Biomolecular Binding under Confinement: Statistical Predictions of Steric Influence in Absence of Long‐Distance Interactions

We propose a theoretical model for the influence of confinement on biomolecular binding at the single‐molecule scale at equilibrium, based on the change of the number of microstates (localization and orientation) upon reaction. Three cases are discussed: DNA sequences shorter and longer than the sin...

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Bibliographic Details
Published in:Chemphyschem 2022-02, Vol.23 (3), p.e202100765-n/a
Main Authors: Longatte, Guillaume, Lisi, Fabio, Bakthavathsalam, Padmavathy, Böcking, Till, Gaus, Katharina, Tilley, Richard D., Gooding, J. Justin
Format: Article
Language:English
Subjects:
Binding
biomolecules
Confinement
Containers
DNA - chemistry
Gene sequencing
modelling
Models, Theoretical
Molecular structure
single molecule
Statistical prediction
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Summary:We propose a theoretical model for the influence of confinement on biomolecular binding at the single‐molecule scale at equilibrium, based on the change of the number of microstates (localization and orientation) upon reaction. Three cases are discussed: DNA sequences shorter and longer than the single strain DNA Kuhn length and spherical proteins, confined into a spherical container (liposome, droplet, etc.). The influence of confinement is found to be highly dependent on the molecular structure and significant for large molecules (relative to container size). Binding under confinement: We suggest statistical thermodynamic theoretical model dealing with the influence of confinement onto biomolecular binding based on a change of biomolecules structure upon binding. Confinement comes from encapsulation into a spherical container.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202100765