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Construction of ultra-coarse-grained model of protein with a Gō-like potential

  • Yuwei Zhang
  • , Zexing Cao
  • , Fei Xia*
  • *此作品的通讯作者
  • Xiamen University
  • East China Normal University

科研成果: 期刊稿件文章同行评审

摘要

Ultra-Coarse-Grained (UCG) model whose resolution is less than residue-based coarse-grained model, is being developed in recent years. In this work, we attempt to construct a UCG model with a classical Gō-like potential. The heterogeneous parameters of local and nonlocal interactions in the energy potential function are derived by using fluctuation matching method. The simulated results with UCG models indicate that it could reproduce the root mean square fluctuations as accurate as that of long-time all-atom simulations. Therefore, the UCG model has great potential in the simulation of huge biological systems such as biomaterials.

源语言英语
页(从-至)1-6
页数6
期刊Chemical Physics Letters
681
DOI
出版状态已出版 - 2017

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