Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study

J Mol Graph Model. 2020 Dec:101:107745. doi: 10.1016/j.jmgm.2020.107745. Epub 2020 Sep 10.

¹ Department of Mechanical Engineering Science, University of Johannesburg, Gauteng, 2006, South Africa. Electronic address: skarimzadeh@uj.ac.za.
² Department of Mechanical Engineering, Eastern Mediterranean University, Famagusta, North Cyprus via Mersin 10, Turkey. Electronic address: babak.safaei@emu.edu.tr.
³ Department of Mechanical Engineering Science, University of Johannesburg, Gauteng, 2006, South Africa. Electronic address: tjen@uj.ac.za.

No abstract available

Keywords: Carbon nanotube; Density functional theory; Doxorubicin; Drug delivery system; Molecular dynamic simulations; Natural bond orbital.

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