Article ID Journal Published Year Pages File Type
5394175 Computational and Theoretical Chemistry 2013 6 Pages PDF
Abstract
The investigation by molecular dynamics of the geometry of the binding of the cumene hydroperoxide within the cavity of proper cyclodextrins (CD) derivatives is quite interesting and could indicate which one of the 〈alpha〉-, 〈beta〉- or 〈gamma〉-CD derivatives best glutathione peroxidase (GPX) mimics based on cyclodextrins the enzymatic action and why.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Molecular dynamics simulations of cyclodextrin-cumene hydroperoxide complexes in water
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