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The presence of a catechol group in the B-ring, due to its ability to donate hydrogen, increases the formation of a relatively stable flavonoid-derived radical, which is the most important determinant of reactive oxygen and nitrogen species (RONS) inhibition (188)
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It most commonlyTrusted Source happens in the legs
While the 200-ns replicates served as control runs to verify result reliability, the final 80-ns segment of the repetitive MD simulations were used for binding free energy calculations
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