Molecular Dynamics Simulation of Protein Folding with Supersecondary Structure Constraints

被引:0
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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
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关键词
Molecular dynamics simulation; supersecondary structure; protein structure simulation;
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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.
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页码:765 / 769
页数:4
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