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    Small molecules can control the shape of biomolecular condensates, crucial for cell organization. This study uses simulations to show how molecule interactions and amounts precisely tune condensate structure, like core-shell or dewetted forms.

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    Area of Science:

    • Biophysics
    • Cell Biology
    • Molecular Dynamics

    Background:

    • Biomolecular condensates regulate cellular organization and function through spatial and temporal control.
    • Small-molecule cosolutes influence condensate phase separation and morphology, but mechanisms are unclear.

    Purpose of the Study:

    • Investigate how small molecules modulate the morphology of two-component condensates.
    • Provide a molecular-level understanding of cosolute effects on condensate structure.

    Main Methods:

    • Coarse-grained molecular dynamics simulations.
    • Systematic variation of interaction strengths between small molecules and macromolecules.
    • Calculation of second virial coefficients.

    Main Results:

    • Observed morphological transitions (e.g., core-shell, dewetted) by tuning interaction strengths.
    • Demonstrated that stoichiometry and interaction strength jointly determine morphology.
    • Showed that condensates can transition from miscible to microphase-separated states (core-shell, dewetted) upon small molecule addition.

    Conclusions:

    • Condensate morphology is rationally tunable via interaction and stoichiometry-dependent mechanisms.
    • Small-molecule cosolutes offer a powerful tool for controlling intracellular organization at the molecular level.