<br/>Rafts are microdomains that contain enriched level of sphingolipids, cholesterol, and proteins. These self-assemblies are implicated in many critical cellular process such as membrane signaling and controlling flux across the membrane. Further these domains are found to register across the membrane, that is, an enriched domain in one side of the bilayer corresponds to an enriched domain on other side of the leaflet. Rafts are small (size range from 10 nm to 200 nm) and highly dynamic so it is difficult to visualize directly using light diffraction method and interface heterogeneity makes separation, purification, experimentation and determination difficult. Model membrane are often used in raft studies since rafts are difficult to characterize in cells. Experimentally both giant unilamellar vesicles and synthetic diblock copolymers show domains that are easier to work with. Computationally raft formation and raft registration were also observed in a diblock copolymer model. Despite considerable effort the molecular driving force for raft registration is currently poorly understood. In our research project we focus on investigating the molecular driving force of raft registration. We hypothesize the raft registration is an entropic-driven process. To test this hypothesis we will utilize the coarse-grained molecular dynamics (CG-MD) simulation. We build and validate model to represent raft registration, and use the model to answer what is the driving force of raft registration.

Computational investigation of domain registration of membrane rafts

251st National Meeting (2016)

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