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Surfactancy in a tadpole model of proteins

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Dyer, Oliver T. and Ball, Robin (2022) Surfactancy in a tadpole model of proteins. Journal of The Royal Society Interface, 19 (195). 20220172. doi:10.1098/rsif.2022.0172 ISSN 1742-5689.

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Official URL: http://dx.doi.org/10.1098/rsif.2022.0172

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Abstract

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.

Item Type: Journal Article
Subjects: Q Science > QH Natural history > QH301 Biology
T Technology > TP Chemical technology
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
Library of Congress Subject Headings (LCSH): Surface active agents, Separation (Technology), Eukaryotic cells -- Research, Proteins -- Structure, Carrier proteins, Biochemistry, Life sciences -- Research
Journal or Publication Title: Journal of The Royal Society Interface
Publisher: The Royal Society Publishing
ISSN: 1742-5689
Official Date: 5 October 2022
Dates:
DateEvent
5 October 2022Published
16 September 2022Accepted
Volume: 19
Number: 195
Article Number: 20220172
DOI: 10.1098/rsif.2022.0172
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Open Access (Creative Commons)
Date of first compliant deposit: 26 October 2022
Date of first compliant Open Access: 28 October 2022
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
EP/T002794/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
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