Event
Bioengineering Seminar Series: Payel Das
Friday, April 6, 2012
11:00 a.m.-12:00 p.m.
Room 1200 Jeong H. Kim Engineering Bldg.
Professor Silvia Muro
muro@umd.edu
Payel Das
Research Staff Scientist
Computational Biology Center
IBM
Simulating Unfolding and Aggregation of Proteins
The direct interaction between small heat shock proteins, a class of protein chaperones, and Alzheimers beta (Abeta) peptides plays an important role in Abeta aggregation and Abeta-mediated cytotoxicity. In this talk, I will discuss the molecular interactions of a small heat shock protein with Abeta(17-42) peptides obtained from large-scale atomistic simulations. I will also present simulation results of a novel coarse-grained protein-like polymer model solvated in monatomic water, which provides the molecular basis of cold, heat, and pressure denaturation of proteins.