Effects of the fixed end in single-molecule imaging techniques: A replica-exchange molecular dynamics simulation study

被引：8

作者：

Kawashima, Y

Sugita, Y

Yoda, T

Okamoto, Y ^{[1
]}

机构：

[1] Japan Sci & Technol Agcy, CREST, Sasaki Team, Tokyo 1900012, Japan

[2] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan

[3] Nagoya Univ, Grad Sch Sci, Dept Phys, Chikusa Ku, Nagoya, Aichi 4648602, Japan

[4] Inst Mol & Cellular Biosci, Bunkyo Ku, Tokyo 1130032, Japan

[5] Nagahama Inst Biosci & Technol, Shiga 5260829, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 414卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2005.07.120

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A peptide with the sequence Ac-YGFAAAAKAAAAKAAAAKC-amide is studied with replica-exchange molecular dynamics simulations. We performed two different simulations in this study: one with no constraint and the other with one end fixed. The latter condition was introduced in order to understand the effects of fixing one end in single-molecule imaging techniques. We analyzed our simulation results utilizing principal component analysis. The free-energy landscape showed that fixing one end of the peptide limits the motion of the peptide backbone. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：449 / 455

页数：7

共 38 条

[1] ESSENTIAL DYNAMICS OF PROTEINS [J].