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Liquid-liquid phase separation in a minimal explicit-solvent lattice model mimicking protein solutions
Siddhartha Roy1, Rakesh S Singh2
1Department of Physics, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati, Andhra Pradesh 517619, India.
The Journal of Chemical Physics
|August 11, 2026
Summary
This study uses a computational model to explore how interactions influence biomolecular condensate formation and shape. Understanding these protein-solvent and protein-crowder interactions is key for designing cellular condensates.
Area of Science:
- Biophysics
- Computational Biology
- Cell Biology
Background:
- Biomolecular condensates are crucial for cellular functions.
- Understanding their assembly and design principles is an active research area.
Purpose of the Study:
- Investigate how protein-solvent and protein-crowder interactions affect condensate phase behavior and morphology.
- Explore condensate formation in both equilibrium and non-equilibrium conditions.
- Extend the model to binary protein mixtures.
Main Methods:
- Employed an explicit-solvent minimal statistical mechanical model.
- Utilized a lattice-gas Hamiltonian with quenched disorder to mimic crowders.
- Computed phase diagrams and analyzed phase-separated morphologies.
Main Results:
- Observed diverse phase behaviors (UCST, closed-loop, reentrant) influenced by protein-solvent interactions.
- Identified solvent-induced alterations in phase behavior and crowder-modulated morphology.
- Discovered varied morphologies (partially wetted, fully wetted, segregative, associative) in binary mixtures, sensitive to interactions.
- Showcased how quenched disorder expands accessible morphologies via complex interactions.
Conclusions:
- Protein-solvent and protein-crowder interactions are key regulators of condensate morphology.
- These findings can guide the design of stimuli-responsive biomolecular condensates.
- The study provides insights into liquid-liquid phase separation in biological systems.
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