Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory

Abstract

Interactions between single walled carbon nanotubes (SWCNT) family with mitochondrial ADP/ATP carrier (ANT-1) were evaluated using constitutional and electronic nanodescriptors defined by (<italic>n</italic>,<italic>m</italic>)-Hamada indexes (armchair, zig-zag and chiral).