MD analysis The mean binding free energies from all MD simulations are 30.2195 1.6479 kcal/mol for Arbutin_a, 12.4682 1.8569 kcal/mol for Arbutin_b, 30.8403 1.4281 kcal/mol for Arbutin_c, and 28.0049 0.8462 kcal/mol for Arbutin_d
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