Surfactancy in a tadpole model of proteins.

J R Soc Interface

Department of Physics, University of Warwick, Coventry CV4 7AL, UK.

Published: October 2022

We model the environment of eukaryotic nuclei by representing macromolecules by only their entropic properties, with globular molecules represented by spherical colloids and flexible molecules by polymers. We put particular focus on proteins with both globular and intrinsically disordered regions, which we represent with 'tadpole' constructed by grafting single polymers and colloids together. In Monte Carlo simulations, we find these tadpoles support phase separation via depletion flocculation, and demonstrate several surfactant behaviours, including being found preferentially at interfaces and forming micelles in single phase solution. Furthermore, the model parameters can be tuned to give a tadpole a preference for either bulk phase. However, we find entropy too weak to drive these behaviours by itself at likely biological concentrations.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9532023PMC
http://dx.doi.org/10.1098/rsif.2022.0172DOI Listing

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