Browsing Technological University of the Shannon: Midlands Midwest by Author "Ramezani Taghartapeh, Mohammad"
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Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study
Cao, Yan; Khan, Afrasyab; Balakheyli, Hanzaleh; Ng Kay Lup, Andrew; Ramezani Taghartapeh, Mohammad; Mirzaei, Hassan; Reza Khandoozi, Seyed; Soltani, Alireza; Aghaei, Mehrdad; Heidari, Fatemeh; Sarkar, Shaheen M.; Albadarin, Ahmad B. (Elsevier, 2021-05-18)The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B12N12 nanocages ...