Molecular Dynamics Simulation of Protein Folding with Supersecondary Structure Constraints

被引:0
|
作者
Zhi Rong Sun
Yan Cui
Lun Jiang Ling
Qing Guo
Run Sheng Chen
机构
[1] Tsinghua University,State Key Laboratory of Biomembrane and Membrane Engineering, Department of Biological Sciences and Biotechnology
[2] Chinese Academy of Sciences,Laboratory of Protein Engineering, Institute of Biophysics
来源
Journal of Protein Chemistry | 1998年 / 17卷
关键词
Molecular dynamics simulation; supersecondary structure; protein structure simulation;
D O I
暂无
中图分类号
学科分类号
摘要
We integrate molecular dynamics simulation methods with a newly developed supersecondary structure prediction method and compute the structure of a protein molecule, crambin. The computed structure is similar to the crystal structure with an rms error of 3.94 Å.
引用
收藏
页码:765 / 769
页数:4
相关论文
共 50 条
  • [1] Molecular dynamics simulation of protein folding with supersecondary structure constraints
    Sun, ZR
    Cui, Y
    Ling, LJ
    Guo, Q
    Chen, RS
    JOURNAL OF PROTEIN CHEMISTRY, 1998, 17 (08): : 765 - 769
  • [2] Protein folding simulation with genetic algorithm and supersecondary structure constraints
    Cui, Y
    Chen, RS
    Wong, WH
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1998, 31 (03) : 247 - 257
  • [3] Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation
    宋永顺
    周昕
    郑伟谋
    王延颋
    CommunicationsinTheoreticalPhysics, 2017, 68 (07) : 137 - 148
  • [4] Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation
    Song, Yong-Shun
    Zhou, Xin
    Zheng, Wei-Mou
    Wang, Yan-Ting
    COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 68 (01) : 137 - 148
  • [5] The supersecondary motifs of protein structure.
    Sun, ZR
    PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS, 1995, 22 (06) : 503 - 506
  • [6] Computer simulations of protein folding by targeted molecular dynamics
    Ferrara, P
    Apostolakis, J
    Caflisch, A
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2000, 39 (03) : 252 - 260
  • [7] Molecular Dynamics Simulation of Protein Biosurfactants
    Cheung, David L.
    Samantray, Suman
    COLLOIDS AND INTERFACES, 2018, 2 (03)
  • [8] Investigation of the Structure and Allergic Potential of Whey Protein by Both Heating Sterilization and Simulation with Molecular Dynamics
    Zhang, Zhao
    Ma, Ruida
    Xu, Yunpeng
    Chi, Lei
    Li, Yue
    Mu, Guangqing
    Zhu, Xuemei
    FOODS, 2022, 11 (24)
  • [9] Conformational folding of xyloglucan side chains in aqueous solution from molecular dynamics simulation
    Umemura, M
    Yuguchi, Y
    CARBOHYDRATE RESEARCH, 2005, 340 (16) : 2520 - 2532
  • [10] Influence of Secondary-Structure Folding on the Mutually Exclusive Folding Process of GL5/I27 Protein: Evidence from Molecular Dynamics Simulations
    Wang, Qing
    Wang, Yan
    Chen, Guangju
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016, 17 (11)