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Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4147-8
Abstract: In this paper, the possible interactions between 5-fluorouracil (5FU) as an anticancer drug and gallium nitride (Ga12N12) nanocage (NC) in aqueous solution have been investigated using DFT/CPCM/B3LYP-D/6-31G(d,p) level of theory. Eleven different orientations were used…
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Keywords:
fluorouracil anticancer;
nitride nanocage;
drug;
anticancer drug ... See more keywords