TCBG Seminar

All-atom Modeling of Protein Folding and Aggregation

Professor Yong Duan
Department of Applied Sciences
University of California, Davis
Davis, California

Monday, December 4, 2006
3:00 pm (CT)
3269 Beckman Institute


Physics-based all-atom simulations have emerged as important tools allowing studies of important biomolecular processes such as protein folding and aggregation. With the growing computer power and increased accuracy in simulation parameters, physics-based all-atom simulations promise to help elucidation of these important and complex molecular events. Exciting progress has been made in the past a few years, marked by the simulation of a number of small proteins to the "native-like" states. In this talk, I will focus on the recent advancement in the simulation methodology and development of new simulation parameters which have led to the observation of the folding to the native state of small proteins. I will use a few examples to highlight these advancements and to demonstrate how small proteins can reach their native states.

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