Computational characterization of claudin-15 strand flexibility

Abstract

Claudins self-polymerize into tight junction strand networks to seal the paracellular pathway between adjacent cells and form selective barriers to control the passive transport of water and small molecules. These anastomosing networks of claudin strands are flexible and dynamic, capable of maintaining barrier function throughout the cellular movement and large-scale tissue rearrangements. To understand the flexibility of tight junction strands, we performed molecular dynamics (MD) simulations of claudin-15 strands ranging from 27nm to 225 nm in two parallel lipid bilayers and characterized their mechanical properties.