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In contrast, during molecular dynamics simulations, the spatial orientation of Arbutin in the Arbutin_b conformation shows noticeable changes compared to its docked structure, which may be attributed to the limited space within the binuclear copper active site that constrains the positioning of the pyranosyl glucose moiety (Fig

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doi: 10.1016/j.drugpo.2014.10.004 21 StriegelHSimonPFrischSRoeckerKDietzKDickhuthHHet al