Investigation of Polyglutamine (PolyQ) Peptides via Molecular Dynamics Simulations

rWorkmanWe use molecular dynamics simulations to investigate the properties of polyglutamine (polyQ) peptides. PolyQ peptides aggregate in neurons to form fibrils, which are thought to be major contributors towards the symptoms of Huntingtons disease.We seek to understand the underlying causes of polyQ aggregation through identifying their conformational ensemble, which we achieve by exploring the polyQ conformational landscape using the metadynamics algorithm.

Riley J. Workman, Graduate Student