Multiscale Computational Framework for the Liquid–Liquid Phase Separation of Intrinsically Disordered Proteins

The reversible assembly of intrinsically disordered proteins (IDPs) to form membraneless organelles (MLOs) is a fundamental process involved in the spatiotemporal regulation in living cells. MLOs formed via liquid–liquid phase separation (LLPS) serve as molecule-enhancing hubs to regulate cell funct...

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Bibliographic Details
Main Author:	Kalindu S. Fernando (18271362) (author)
Other Authors:	Ghodsiehsadat Jahanmir (5219015) (author), Ilona C. Unarta (14009225) (author), Ying Chau (1692013) (author)
Published:	2024
Subjects:	Biophysics Biochemistry Genetics Molecular Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified rich kinked segments regulate cell functions pairwise potential energies multiscale computational model multiscale computational framework move acceptance criteria kuhn length estimation intrinsically disordered proteins fundamental process involved form membraneless organelles bead assignment based associative polymer theory atomistic molecular dynamics “ stickers ”. stochastic fus movements identified using larksdb protein assembly via molecular interactions weak inter stickers interspaced spatiotemporal regulation reversible assembly randomly positioned protein chains probability determined monte carlo metropolis algorithm living cells linear chain illustrative examples fus chains forming propensity enhancing hubs efficient way dynamic nature cubic lattice
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Multiscale Computational Framework for the Liquid–Liquid Phase Separation of Intrinsically Disordered Proteins

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