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高压诱导小蛋白Chignolin变性的分子动力学研究
  • 摘要

    在温度为300 K,压强为200、1 000和2 000 MPa时,分别对小蛋白Chignolin进行了50 ns的分子动力学模拟,模拟中考虑了水的压缩性系数随压强的改变情况.结果表明,在高压下Chignolin的构象产生非常显著的变化,出现了完全去折叠.通过研究水和Chignolin之间氢键作用发现,两者之间的氢键数目变化趋势与蛋白质构象变化相一致.进一步研究还发现,压强的增大还会抑制Chignolin的去折叠;同时对高压诱导小蛋白变性的机理进行了分析.

  • 作者

    于家峰  王吉华 

  • 作者单位

    德州学院,山东省高校生物物理重点实验室,山东,德州,253023;德州学院,物理系,山东,德州,253023

  • 刊期

    2009年6期 ISTIC PKU

  • 关键词

    高压  分子动力学模拟  去折叠  Chignolin 

参考文献
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