Selected article for: "crystal structure and high sequence similarity"
Author: Cecylia S. Lupala; Xuanxuan Li; Jian Lei; Hong Chen; Jianxun Qi; Haiguang Liu; Xiao-dong Su
Title: Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein
  • Document date: 2020_3_27
    • ID: kifqgskc_2
    Snippet: Similar approach has been applied to predict the complex structure and estimate the binding energies 3 . Because of the high sequence similarity between CoV2-RBD and SARS-RBD, the predicted structure was found to be highly consistent with the resolved crystal structures 10 (see another crystal structure at http://nmdc.cn/nCoV entry:NMDCS0000001, PDBID: 6LZG). These structures laid the foundation for the dynamics investigation of the CoV2-RBD/ACE2.....
    Document: Similar approach has been applied to predict the complex structure and estimate the binding energies 3 . Because of the high sequence similarity between CoV2-RBD and SARS-RBD, the predicted structure was found to be highly consistent with the resolved crystal structures 10 (see another crystal structure at http://nmdc.cn/nCoV entry:NMDCS0000001, PDBID: 6LZG). These structures laid the foundation for the dynamics investigation of the CoV2-RBD/ACE2 complex using computational simulation method. The predicted CoV2-RBD/ACE2 model was subjected to all-atom molecular dynamics (MD) simulations to study the binding interactions.

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