A density functional theory study on the adsorption of Mercaptopurine anti-cancer drug and Cu/Zn-doped boron nitride nanocages as a drug delivery
Author:
Affiliation:
1. Department of Chemistry, Payame Noor University, Tehran, Iran
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2212788
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3. Theoretical investigations of functionalization of graphene and ZnO monolayers with mercaptopurine at aqueous media: A dispersion-corrected DFT calculations and molecular dynamic simulations
4. TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids
5. Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations
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