From 0 to 42 ns, the vdW energy has a decreasing trend, and due to drug re-orientations, its fluctuation is severe.
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Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane.
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Interestingly, for the adsorbed drugs on edge, the MSD plot initially has an increasing trend, and after adsorption on the CN edge, their mobility decreased.