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Concentrations of thiocyanate and goitrin in human plasma, their precursor concentrations in brassica vegetables, and associated potential risk for hypothyroidism

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Post-simulation computation Following 100 ns MD simulation, initially, the last poses were collected from each simulation trajectory and analyzed for the displacement of docked ligand by comparison to the respective initial conformation using superimpose module in the free academic Maestro v12.6 tool of Schrdinger suite-2020.4 40

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J Drugs Dermatol 2003;2:13-21

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