Selected article for: "amino acid and CoV sequence"
Author: Maria Bzówka; Karolina Mitusinska; Agata Raczynska; Aleksandra Samol; Jack Tuszynski; Artur Góra
Title: Molecular Dynamics Simulations Indicate the SARS-CoV-2 Mpro Is Not a Viable Target for Small-Molecule Inhibitors Design
  • Document date: 2020_3_2
    • ID: mp3a9c9u_41
    Snippet: SARS-CoV Mpro was downloaded from the PDB (PDB ID: 1q2w). Blast [57] was run based on the amino acid sequence. As a result, 2643 sequences of viral main proteases similar to chain A SARS-CoV Mpro were obtained. Clustal Omega [58] was used to prepare an alignment of those sequences. Comulator was then employed to calculate the correlation between amino acids and based on the results, groups of positions in SARS-CoV Mpro sequence were selected whos.....
    Document: SARS-CoV Mpro was downloaded from the PDB (PDB ID: 1q2w). Blast [57] was run based on the amino acid sequence. As a result, 2643 sequences of viral main proteases similar to chain A SARS-CoV Mpro were obtained. Clustal Omega [58] was used to prepare an alignment of those sequences. Comulator was then employed to calculate the correlation between amino acids and based on the results, groups of positions in SARS-CoV Mpro sequence were selected whose amino acid occurrences strongly depended on each other.

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