Selected article for: "MD simulation trajectory and simulation trajectory"

Author: Fabiana Renzi; Dario Ghersi
Title: ACE2 fragment as a decoy for novel SARS-Cov-2 virus
  • Document date: 2020_4_10
  • ID: 77ku0164_9
    Snippet: Further, we determined whether the double-helix is stable in an aqueous environment in the absence of the S-protein, a feature that would be required for a viable inhibitor. We carried out a 100 ns MD simulation of the double-helix alone, visually inspected the trajectory, and compared the RMSD with respect to the initial conformer (Figure 2A , black curve)......
    Document: Further, we determined whether the double-helix is stable in an aqueous environment in the absence of the S-protein, a feature that would be required for a viable inhibitor. We carried out a 100 ns MD simulation of the double-helix alone, visually inspected the trajectory, and compared the RMSD with respect to the initial conformer (Figure 2A , black curve).

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