Simulations of lung surfactant

This animation by Svetlana Baoukina, Dmitri Rozmanov and Peter Tieleman (University of Calgary) shows a lipid monolayer in equilibrium with lipid vesicles on water surface. The lipids in vesicles and monolayers are separated into the liquid-ordered and liquid-disordered phases (domains). The vesicles are formed in water (not shown) as a result of monolayer collapse caused by external compression. This large-scale complex structure is a 3D molecular dynamics model of lung surfactant, computed with the coarse-grained Martini model using GROMACS software. The movie was generated using ParaView. Simulations were performed on WestGrid (Compute Canada) resources.

 

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