volume 6, issue 63, P58680-58693 2016
DOI: 10.1039/c6ra08883j
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Abstract: Interactions between single walled carbon nanotubes (SWCNT) family with mitochondrial ADP/ATP carrier (ANT-1) were evaluated using constitutional (functional groups, number of carbon atoms, etc.) and electronic nanodescriptors defined by (n, m)-Hamada indexes (armchair, zig-zag and chiral). The Free Energy of Binding (FEB) was determined by Molecular Docking Simulation and the results showed that FEB was statistically more negative (p< 0.05), following the order SWCNT-COOH > SWCNT-OH > SWCNT, suggesting that …

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