Selected article for: "complex structure and SARS RBD"
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_7
    Snippet: The spike RBD of SARS-CoV-2 (GenBank: MN908947 2 ) comprises Cys336-Gly526 residues according to the sequence homology analysis with SARS-CoV spike RBD (see Figure S1 ). The predicted three-dimensional structure model of these residues was obtained with the SWISS-MODEL server 11 . This predicted SARS-CoV-2 RBD model was subsequently superimposed into the X-ray structure of SARS-CoV RBD in complex with human ACE2 (PDB code:2AJF, Chain D 7 ). Final.....
    Document: The spike RBD of SARS-CoV-2 (GenBank: MN908947 2 ) comprises Cys336-Gly526 residues according to the sequence homology analysis with SARS-CoV spike RBD (see Figure S1 ). The predicted three-dimensional structure model of these residues was obtained with the SWISS-MODEL server 11 . This predicted SARS-CoV-2 RBD model was subsequently superimposed into the X-ray structure of SARS-CoV RBD in complex with human ACE2 (PDB code:2AJF, Chain D 7 ). Finally, the computer model of SARS-CoV-2 RBD with human ACE2 (CoV2-RBD/ACE2) was obtained for further simulations and analysis.

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