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66 ta ish

Ish: Synthesis, Structure, DFT and In Silico Studies of Zn (II) Complex with Lipoic Acid: A Potential Antidiabetic Drug

  1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Maqola198884 iqtibos
    ABI

  2. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

  3. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Marcus D. Hanwell, Donald Curtis, David Lonie +3

    Maqola201233 iqtibos
    ABI

  4. CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting

    Yang Liu, Xiaocong Yang, Jianhong Gan +3

    Maqola202217 iqtibos
    ABI

  5. Role of Frontier Orbitals in Chemical Reactions

    Kenichi Fukui

    Maqola19824 iqtibos
    ABI

  6. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

    Narbe Mardirossian, Martin Head‐Gordon

    Maqola20174 iqtibos
    ABI

  7. Absolute hardness: companion parameter to absolute electronegativity

    Robert G. Parr, Ralph G. Pearson

    Maqola19834 iqtibos
    ABI

  8. Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol

    Zeynep Demi̇rci̇oğlu, Çiğdem Albayrak Kaştaş, Orhan Büyükgüngör

    Maqola20154 iqtibos
    ABI

  9. Alpha-lipoic acid as a biological antioxidant

    Lester Packer, E Witt, Hans Tritschler

    Sharh maqola19953 iqtibos
    ABI

  10. Electronegativity: The density functional viewpoint

    Robert G. Parr, Robert A. Donnelly, Mel Levy +1

    Maqola19783 iqtibos
    ABI

  11. Development of an Improved Method for the Determination of Iodine/β-Cyclodextrin by Means of HPLC-UV: Validation and the Thyroid-Stimulating Activity Revealed by In Vivo Studies

    Avez Sharipov, Zufar Boboev, Sunnatullo Fazliev +3

    MaqolaNeonatal Health and BiochemistryPharmaceutics20212 iqtibos
    ABI

  12. Python: a programming language for software integration and development.

    M F Sanner

    Maqola19992 iqtibos
    ABI

  13. Copper(II) and zinc(II) coordination compounds of non-steroidal anti-inflammatory drugs: Structural features and antioxidant activity

    George Psomas

    Maqola20202 iqtibos
    ABI

  14. Lipoic acid – biological activity and therapeutic potential

    Anna Gorąca, Halina Huk-Kolega, Aleksandra Piechota-Polańczyk +3

    Sharh maqola20112 iqtibos
    ABI

  15. Molecular Docking: Shifting Paradigms in Drug Discovery

    Luca Pinzi, Giulio Rastelli

    Sharh maqola20192 iqtibos
    ABI

  16. Structurally characterized zinc complexes of flavonoids chrysin and quercetin with antioxidant potential

    Eleftherios Halevas, Barbara Mavroidi, Maria Pelecanou +1

    Maqola20212 iqtibos
    ABI

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