Modeling the molecular structures and dynamics responsible for the remarkable mechanical properties of a plant cell wall

The primary plant cell wall is a hydrated meshwork of polysaccharides that is strong enough to withstand large mechanical stresses imposed by turgor while remaining pliant in ways that permit growth. To understand how its macromolecular architecture produces its complex mechanical properties, Zhang et al.1 computationally assembled a realistic network of cellulose microfibrils, hemicellulose, and pectin. The simulated wall responded to computationally applied stress like the real wall on which it was based. The model showed the location and chemical identity of stress-bearing components. It showed that cellulose microfibril interactions and movements dominated the wall’s mechanical behavior, while hemicellulose and pectin had surprisingly minor effects.