ArticleChemical science2021
Coacervate formation studied by explicit solvent coarse-grain molecular dynamics with the Martini model.
Article in Chemical science, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 41 papers.
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Who cites it
41 citing papers in PubMed.
- Modifying polyelectrolyte charge density and surface coverage for enhanced polyelectrolyte-surfactant lubrication of biomimetic interfaces.RSC applied interfaces · 2026Article
- Enhanced Condensation of RNA Repeats Induced by Terahertz Oscillatory Fields.Molecules (Basel, Switzerland) · 2026Article
- Folded domains impose structural heterogeneity and attenuated dynamics in biomolecular condensates.Nature communications · 2026Article
- Origin of the ionic-strength dependent reentrant behavior in the liquid-liquid phase separation of uncharged intrinsically disordered proteins.Communications chemistry · 2026Article
- Oxygen depletion in biomolecular condensates is dominated by macromolecular density.Nature communications · 2026Article
- Coacervate droplets as pH-regionalized protocells.Nature communications · 2026Article
- Mixing protocols determine liquid-liquid phase separation dynamics in polyelectrolyte complex coacervation.Nature communications · 2026Article
- Bridging Scales: Coarse-Grained Protein Models in Computational Biology.Advances in experimental medicine and biology · 2026Review
- Insights into de-mixing and morphology modulation in coacervate-membrane interactions from integrating experiments and simulations.Communications chemistry · 2025Article
- Multi-scale simulations of MUT-16 scaffold protein phase separation and client recognition.Biophysical journal · 2025Article
- Charged peptides enriched in aromatic residues decelerate condensate ageing driven by cross-β-sheet formation.Nature communications · 2025Article
- Molecular Dynamics Simulation of Fatty Acid Extraction Using a Type V Deep Eutectic Solvent with Tunable Hydrophobicity.The journal of physical chemistry. B · 2025Article
- The Origin of the Ionic-strength Dependent Reentrant Behavior in Liquid-Liquid Phase Separation of Uncharged IDPs.bioRxiv : the preprint server for biology · 2025Article
- All-atom simulations of biomolecular condensates.Current opinion in structural biology · 2025Review
- Controlled liquid-liquid phase separation via the simulation-guided, targeted engineering of the RNA-binding protein PARCL.iScience · 2025Article
- Determining the Role of Electrostatics in the Making and Breaking of the Caprin1-ATP Nanocondensate.The journal of physical chemistry. B · 2025Article
- GōMartini 3: From large conformational changes in proteins to environmental bias corrections.Nature communications · 2025Article
- Microphase separation produces interfacial environment within diblock biomolecular condensates.eLife · 2025Article
- Martini3-IDP: improved Martini 3 force field for disordered proteins.Nature communications · 2025Article
- Toward understanding lipid reorganization in RNA lipid nanoparticles in acidic environments.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Complex coacervates are liquid-liquid phase separated systems, typically containing oppositely charged polyelectrolytes. They are widely studied for their functional properties as well as their potential involvement in cellular compartmentalization as biomolecular condensates. Diffusion and partitioning of solutes into a coacervate phase are important to address because their highly dynamic nature is one of their most important functional characteristics in real-world systems, but are difficult to study experimentally or even theoretically without an explicit representation of every molecule in the system. Here, we present an explicit-solvent, molecular dynamics coarse-grain model of complex coacervates, based on the Martini 3.0 force field. We demonstrate the accuracy of the model by reproducing the salt dependent coacervation of poly-lysine and poly-glutamate systems, and show the potential of the model by simulating the partitioning of ions and small nucleotides between the condensate and surrounding solvent phase. Our model paves the way for simulating coacervates and biomolecular condensates in a wide range of conditions, with near-atomic resolution.
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