Docking studies on the interactions between the anticancerdrug, Taxol, and amino acid functionalized graphene

Docking studies between Taxol and twenty amino acids functionalized graphene was done. The binding energies for these systems calculated to be between -11.5 and -12.0 kcal/mol. Six of the investigated structures were showed better affinities on comparison with other ones. Based in the analysis done on the interaction between the Taxol and functionalized grraphene, the van der Waals interaction is the most important one

کلیدواژه ها:

Taxol ، Graphene ، Docking ، Amino acid