Improving the self-assembly of bioresponsive nanocarriers by engineering doped nanocarbons: a computational atomistic insight

Abstract Here, molecular dynamics (MD) simulations were employed to explore the self-assembly of polymers and docetaxel (DTX) as an anticancer drug in the presence of nitrogen, phosphorous, and boron-nitrogen incorporated graphene and fullerene. The electrostatic potential and the Gibbs free energy...

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Autores principales: Mohammad Khedri, Nima Beheshtizadeh, Reza Maleki, Thomas J. Webster, Sima Rezvantalab
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/01997200b12e4d359a708350c0b5674d
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