Density functional theory calculations and molecular dynamics simulations of the adsorption of ellipticine anticancer drug on graphene oxide surface in aqueous medium as well as under controlled pH conditions

Published 2018 View Full Article

Authors

Keywords

Ellipticine molecule, Graphene oxide nanosheet, Density functional theory, Molecular dynamics simulation

Journal

JOURNAL OF MOLECULAR LIQUIDS

Volume 255, Issue -, Pages 269-278

Publisher

Elsevier BV

Online

2018-01-31

DOI

10.1016/j.molliq.2018.01.159

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