|本期目录/Table of Contents|

[1]贾红霞,靳聪明.String方法在丙氨酸多肽链中的应用[J].浙江理工大学学报,2016,35-36(自科2):297-303.
 JIA Hongxia,JIN Congming.The Application of String Method in Alanine Polyalanine Chain[J].Journal of Zhejiang Sci-Tech University,2016,35-36(自科2):297-303.
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String方法在丙氨酸多肽链中的应用()
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浙江理工大学学报[ISSN:1673-3851/CN:33-1338/TS]

卷:
第35-36卷
期数:
2016年自科2期
页码:
297-303
栏目:
出版日期:
2016-03-10

文章信息/Info

Title:
The Application of String Method in Alanine Polyalanine Chain
文章编号:
1673-3851 (2016) 02-0297-07
作者:
贾红霞靳聪明
浙江理工大学理学院 杭州 310018
Author(s):
JIA HongxiaJIN Congming
Department of Mathematics, Zhejiang Sci-Tech University, Hangzhou 310018,China
关键词:
String方法多肽链转移路径构象变化
分类号:
O242.1
文献标志码:
A
摘要:
蛋白质的构象变化在生命过程中起着重要的作用,蛋白质在发挥其功能时常伴有构象变化,有些疾病也是由蛋白质的构象发生变化引起的,典型的例子如老年痴呆、疯牛病等就是某些蛋白质的构象由水溶性的蛋白变成了不溶性的纤维性蛋白引起的。知道构象变化的过程对理解蛋白质相关性质起着重要作用,但从原子尺度研究构象变化是极具挑战的问题。文章利用String方法从原子尺度研究了多肽链的3 10 螺旋和α 螺旋之间的构象变化。文中用零温度String方法研究多肽链3 10 螺旋和α 螺旋之间的构象变化,从不同的初始路径得到了不同的最优路径和过渡态,其中有显著势垒的过渡态是与3 10 螺旋相似的构型;利用有限温度String方法研究多肽的构象变化,采用了Langevin动力学和分子动力学两种采样法,得到了它的转移路径系综,通过与零温度String方法结果比较说明了模拟结果的有效性。

参考文献/References:

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备注/Memo

备注/Memo:
收稿日期: 2015-07-03
基金项目: 浙江省自然科学基金项目(LY13A010014);国家自然科学基金项目(11571314); 浙江理工大学521人才培养计划
作者简介: 贾红霞(1991-),女,山西晋中人,硕士研究生,主要从事蛋白质构象变化方面的研究
通信作者: 靳聪明,E-mail:jincm@lsec.cc.ac.cn
更新日期/Last Update: 2016-06-02