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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
co functional » cog functional (Expand Search), go functional (Expand Search), low functional (Expand Search)
algorithm pre » algorithm where (Expand Search), algorithm used (Expand Search), algorithm from (Expand Search)
algorithm co » algorithm cl (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
pre function » spread function (Expand Search), sphere function (Expand Search), three function (Expand Search)
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“Integration and prediction” panel for CoV-human protein-protein interaction network.
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DFT, Molecular Docking, and ADME/Tox Screening Investigations of Market-Available Drugs against SARS-CoV-2
Published 2022“…<div><p>A series of drugs was investigated to determine structural, electronic and pharmacological properties, as well as the molecular affinity for the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The drugs were submitted to density functional theory calculations to optimize structures and predict binding preferences. …”
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