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Cyclodextrins (CD) are widely used as encapsulation agents for bioactive molecules. Here, we use docking and quantum chemical calculations to ascertain the capability of the three available CDs (α-, β- and γ-CD) to encapsulate carnosol and carnosic acid, which are the most important antioxidants present in the rosemary extract. Docking is revealed as an efficient tool to rank best suited candidates...
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