通过温度复制交换分子动力学模拟α-syn12肽在溶液中的结构特征

2009 International Conference on Future BioMedical Information Engineering (FBIE) Pub Date : 2009-12-01 DOI:10.1109/FBIE.2009.5405888

Zanxia Cao

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引用次数: 0

摘要

采用GROMOS 43A1力场进行温度复制交换分子动力学模拟，研究了α-syn12肽在水溶液中的动力学和结构特性。分离得到的α-syn12肽在水中呈β-片结构。这些结果与其他淀粉样蛋白病的结果一致。

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Structural character of α-syn12 peptide in solution via temperature replica exchange molecular dynamics simulations

The dynamics and structural character of α-syn12 peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations by using GROMOS 43A1 force field. The isolated α-syn12 peptide adopts in water a β-sheet structure. These results are consist with other amyloid disease protein.

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2009 International Conference on Future BioMedical Information Engineering (FBIE)

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