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    Deciphering the role of flutamide, fluorouracil, and furomollugin based ionic liquids in potent anticancer agents: Quantum chemical, medicinal, molecular docking and MD simulation... by Danish Ali, Muhammad Arif Ali, Muhammad Sarfraz, Afifa Yousuf, Rasham Zulfiqar, Abdul Rauf, Hong-Liang Xu, Muhammad Arshad

    Published 2025-01-01
    “…Frontiers molecular orbitals (FMOs) showed that [FT1]+[NH]– exhibits the smaller Egap on both gas and solvent phase from 5.24 to 4.39 eV, suggesting high reactivity and increasing solubility. …”
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