Droplet Growth in Biomolecular Condensates
Many proteins inside living cells can undergo phase separation, forming liquid-like droplets similar to the separation of oil from water. These structures, known as biomolecular condensates, play an important role in a wide range of cellular processes [1]. Despite their importance, key questions remain about how these droplets grow and how they exchange material with their surroundings.
In this project, we will investigate the molecular mechanisms underlying droplet growth and material exchange using coarse-grained molecular dynamics simulations in combination with mean-field theory. Particular attention will be given to adsorption and evaporation processes at the interface between the dense (“liquid”) and dilute (“vapor”) phases. The goal is to understand how the properties of droplet-forming molecules influence interfacial energetics and, ultimately, the growth dynamics of biomolecular condensates.
The key tasks for the project are
• Design and setup of coarse-grained molecular dynamics simulations
• Quantification of the growth rate of the droplet
• Quantification of material exchange rates between the two phases
• Identification of key-factors that may be of relevance for biological systems
• Development of simplified analytical models to interpret the results
• Publication of the results in peer-reviewed journals
Keywords:
Biomolecular condensates, liquid-liquid phase transition, MD simulations
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