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

被引：0

作者：

Cao, Zanxia ^{[1
]}

机构：

[1] Dezhou Univ, Shandong Univ, Key Lab Biophys, Dezhou 253023, Peoples R China

来源：

2009 INTERNATIONAL CONFERENCE ON FUTURE BIOMEDICAL INFORMATION ENGINEERING (FBIE 2009) | 2009年

关键词：

peptide simulation; replica exchange; force field; FORCE-FIELDS; QUANTUM-MECHANICS; BETA-HAIRPIN; ENERGETICS; BACKBONE;

D O I：

10.1109/FBIE.2009.5405888

中图分类号：

R318 [生物医学工程];

学科分类号：

0831 ;

摘要：

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

引用

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页码：229 / 232

页数：4

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