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

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 of the se...

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Detalles Bibliográficos
Autores principales: Khedri, Mohammad, Beheshtizadeh, Nima, Maleki, Reza, Webster, Thomas J., Rezvantalab, Sima
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8564517/
https://www.ncbi.nlm.nih.gov/pubmed/34728678
http://dx.doi.org/10.1038/s41598-021-00817-2