1 FORCE-INDUCED ACTIVATION OF TALIN 2 MECHANICS AND SELF-ASSEMBLY OF THE SYNT

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We are engaged in two projects requiring molecular dynamic simulations of proteins. First, we are examining a potential mechanism of mechanotransduction by talin, a protein found at sites where a cell anchors to the extracellular matrix. Talin could begin a signaling cascade by unfolding under an applied force to expose a binding site for the protein vinculin. Second, we are investigating the mechanical and self-assembly properties of the peptide [RARADADA]2, a cell scaffold material. We use atomistic simulations to measure parameters for course-grained models of bulk material behavior.