Research Area

Computer Simulation of Protein Folding and Aggregation including Fibril Formation


Protein aggregation is believed to play a significant role in the pathogenesis of many human diseases, such as Alzheimer's, Parkinson's and the prion diseases. In these so-called protein deposition diseases, normally soluble proteins come together to form ordered aggregates known as fibrils or amyloid. The causes of fibril formation are not known. However recent experimental studies of the fibrillization of proteins that are not disease-related indicate that aggregation may be an intrinsic property of all proteins under slightly denatured concentrated conditions. This suggests that computer simulations based on reduced representation protein models might shed light on the molecular mechanisms involved in aggregation. I will be using the in silico techniques developed by Dr. Hall's research group to explore the phenomena of protein aggregation.


C. K. Hall, H. D. Nguyen, A. J. Marchut, V. A. Wagoner, "Misbehaving Proteins: Protein (Mis)Folding, Aggregation, and Stability," (2006).
C. K. Hall, V. A. Wagoner, "Methods in Enzymology: Amyloid, Prions, and Other Protein Aggregates, Part B," 412, 338-365 (2006).
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