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A box was constructed to fully enclose the small molecule and protein by adjusting the Grid Box parameters, followed by running AutoGrid 4, setting the docking parameters and algorithms, running AutoDock4, and exporting the results file in PDBQT format

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Para que uma substncia seja usada por via oral ou injetvel em humanos, so necessrios estudos que avaliem absoro, distribuio, metabolismo, excreo, toxicidade, dose, segurana em populaes especficas, interaes, eventos adversos e eficcia em desfechos clnicos

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