政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/116898
English  |  正體中文  |  简体中文  |  Post-Print筆數 : 27 |  全文笔数/总笔数 : 112721/143689 (78%)
造访人次 : 49532705      在线人数 : 872
RC Version 6.0 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.
搜寻范围 查询小技巧：
  • 您可在西文检索词汇前后加上"双引号"，以获取较精准的检索结果
  • 若欲以作者姓名搜寻，建议至进阶搜寻限定作者字段，可获得较完整数据
    •  进阶搜寻


    请使用永久网址来引用或连结此文件: https://nccur.lib.nccu.edu.tw/handle/140.119/116898


    题名: Molecular dynamics approach to aggregation of polymer chains with monomers connected by springs
    作者: 馬文忠
    胡進錕
    Ma, Wen-Jong
    Hu, Chin-Kun
    贡献者: 應物所
    关键词: molecular dynamics;polymer;bead-spring model;protein aggregation;pair distribution function
    日期: 2010-10
    上传时间: 2018-04-18 14:41:16 (UTC+8)
    摘要: We consider the aggregation processes of model systems consisting of polymer chains and a fluid of Lennard-Jones (L-J) molecules. The neighboring monomers in a polymer chain are connected by springs of five different strengths for five different systems. The bending-angle and torsion-angle potentials of a polymer chain have strength parameters K b and K t , respectively. A small number of randomly chosen “linker sites” along a polymer chain are fluid-attractive, while the other monomers are fluid-repulsive. Using molecular dynamics simulation, we monitor the non-equilibrium aggregation process and analyze its dependence on the strengths of the angle potentials ( K b and K t ) and the monomer–monomer connecting springs. We find that polymer chains tend to aggregate when K b and K t are small enough and the temperature of the monomers is low. A quantitative analysis of the structures reveals the hierarchy in the formation of aggregated clusters. The alignment of local segments of individual chains is followed by the coalescence of these local patches. By removing the fluid and setting the angle potentials to zero, we study the aggregation processes in pure systems. We find the formation of bundle-like aggregated clusters to be robust. Several stages of clustering may prevail when the strength of the springs is increased. To identify the effect of the hindrance caused by the angle potentials, we also simulate systems of mixed chains and fluid, with larger angle potentials. Our analysis suggests that larger angle potentials prevent the aligned local segments from extending spatially and cause the failure of the formation of aggregated clusters. The scenario revealed in this study may be useful for the analysis of protein aggregation in more realistic complex biological systems.
    關聯: Journal of Physical Society of Japan, 79, 104002
    数据类型: article
    DOI 連結: https://doi.org/10.1143/JPSJ.79.104002
    DOI: 10.1143/JPSJ.79.104002
    显示于类别:[應用物理研究所 ] 期刊論文

    文件中的档案:

    档案 描述 大小格式浏览次数
    index.html0KbHTML2526检视/开启


    在政大典藏中所有的数据项都受到原著作权保护.


    社群 sharing

    著作權政策宣告 Copyright Announcement
    1.本網站之數位內容為國立政治大學所收錄之機構典藏，無償提供學術研究與公眾教育等公益性使用，惟仍請適度，合理使用本網站之內容，以尊重著作權人之權益。商業上之利用，則請先取得著作權人之授權。
    The digital content of this website is part of National Chengchi University Institutional Repository. It provides free access to academic research and public education for non-commercial use. Please utilize it in a proper and reasonable manner and respect the rights of copyright owners. For commercial use, please obtain authorization from the copyright owner in advance.

    2.本網站之製作，已盡力防止侵害著作權人之權益，如仍發現本網站之數位內容有侵害著作權人權益情事者，請權利人通知本網站維護人員(nccur@nccu.edu.tw)，維護人員將立即採取移除該數位著作等補救措施。
    NCCU Institutional Repository is made to protect the interests of copyright owners. If you believe that any material on the website infringes copyright, please contact our staff(nccur@nccu.edu.tw). We will remove the work from the repository and investigate your claim.
    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library IR team Copyright ©   - 回馈