讲座题目：Atomistic Molecular Dynamics Study of Protein Misfolding

主 讲 人：郗文辉 博士

讲座时间：2019年3月19日14:30-15:30时

讲座地点：理学院钱伟长楼 201会议室

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讲座内容简介：

It is well-known that proteins’ function is based on specific 3-dimensional conformation. If protein folding is disrupted, it would not only lose its biological function, but also aggregate through several stages and assemble into toxic oligomers and fibers. A list of known diseases that are associated with protein misfolding, such as Alzheimer’s disease. Monomers, oligomers, and amyloid fibrils exist in an equilibrium of interchanging structures characterized by polymorphism, and having distinct biochemical and cellular properties. Molecular dynamics is a computer simulation method for studying the physical movements of atoms and molecules. Here we exam the mechanism of amyloid fibrils with atomistic molecular dynamics simulations. Meanwhile, we introduce Replica-Exchange-with-Tunneling (RET) simulations as a tool for studies of the conversion between polymorphic amyloids.

主讲人简介：

郗文辉，2012年于南京大学物理系取得理学博士学位，之后先后在复旦大学物理系和美国俄克拉荷马大学化学与生物化学系从事博士后研究，主要研究方向为广义系综分子模拟方法开发和淀粉样聚集蛋白的致病机理研究。