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107 7) In a large 6-year study, Martinez-Lapiscina et al

Docking parameter files as well as the pdbqt files, containing all 50 docking poses for each ligand, are stored at RMSD and Hydrogen Bond Calculation The root-mean square deviation (RMSD) of GSH over the trajectory was computed using the open-source, community-developed PLUMED library version 2.6 [80, 81] together with the Python package MDAnalysis [82, 83]

A total of 84 hospitalized patients with cerebral infarction were randomly divided into control (n = 40) and the treatment groups (n = 44)