Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An alternative theoretical approach based on DFT and MD

Published 2018 View Full Article

Authors

Keywords

Functionalized single-walled carbon nanotube, Flutamide molecule, Drug delivery system, QTAIM, NBO, Molecular dynamics simulation

Journal

APPLIED SURFACE SCIENCE

Volume 434, Issue -, Pages 492-503

Publisher

Elsevier BV

Online

2017-10-27

DOI

10.1016/j.apsusc.2017.10.165

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