Principal Investigator Markus Buehler
As part of a larger effort to explain the structural hierarchy and strength of high-performance biological materials, this project will investigate the mechanical properties of individual proteins and protein materials at the nanoscale. The focus will be the assembly, deformation and fracture properties of beta-sheet protein structures found in amyloid fibrils (highly ordered beta-sheet based fibril structures found in tissue) and silk nanocrystals using molecular dynamics simulations. Beta-sheet structures are abundant in many strong materials such as spider silk and muscle tissue, and are linked to diseases such as Alzheimer's and Parkinson's. Common to these materials is their ability to self-assemble into highly ordered, robust and sturdy fibrillar protein deposits. This project will investigate the mechanical behavior of the fibril and crystal forming structures using molecular dynamics simulations to explain how the specific structural and chemical properties of simple protein building blocks lead to such material growth phenomena. The insight gained from this study could be beneficial for developing new biomimetic nano-structured materials and novel noninvasive drug delivery systems.