摘要
在温度为300 K,压强为2000 bar、10000 bar时,对小蛋白Trpcage的去折叠过程进行了分子动力学模拟,模拟中考虑了水的压缩系数随压强改变情况.结果发现,高压会导致Trpcage变性.然后对其变性原因进行了分析.
The molecular dynamical simulation was performed at 300K and the pressure of 2000bar,10000bar to study the unfolding of miniprotein Trpcage, the total simulating time is more than 100ns and the changes of the compressibility are considered during the simulation. The results show high pressure can induce the miniprotein denaturation, then the causes are analyzed based on these.
出处
《德州学院学报》
2008年第2期9-11,14,共4页
Journal of Dezhou University
基金
山东省自然科学基金(Y2005D12)
关键词
高压
分子动力学模拟
变性
Trpcage
high pressure
molecular dynamical simulation
denaturation
Trpcage