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45 ta ish

Ish: Assessing a B12C12 nanocage for the pyrazinamide drug adsorption along with DFT insights for providing drug up-take platforms

  1. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Maqola200732 iqtibos
    ABI

  2. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    MaqolaOchiq kirish200730 iqtibos
    ABI

  3. Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

    Martin Walker, Andrew J. A. Harvey, Ananya Sen +1

    Maqola201317 iqtibos
    ABI

  4. A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

    Tian Lu

    Maqola202413 iqtibos
    ABI

  5. A new approach to counterpoise correction to BSSE

    Annia Galano, J. Raúl Alvarez‐Idaboy

    Maqola20066 iqtibos
    ABI

  6. Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

    Edward G. Hohenstein, Samuel T. Chill, C. David Sherrill

    Maqola20085 iqtibos
    ABI

  7. Global burden of bacterial antimicrobial resistance 1990–2021: a systematic analysis with forecasts to 2050

    Mohsen Naghavi, Stein Emil Vollset, Kevin S Ikuta +97

    Maqola20245 iqtibos
    ABI

  8. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

    R. Ditchfield, Warren J. Hehre, John A. Pople

    Maqola19714 iqtibos
    ABI

  9. Nanotechnology based drug delivery system: Current strategies and emerging therapeutic potential for medical science

    Tarun Sahu, Yashwant Kumar Ratre, Sushma Chauhan +3

    Maqola20213 iqtibos
    ABI

  10. Theoretical treatment of interaction of pyrazinamide with graphene and h-SiC monolayer: A DFT-D3 study

    Mona Daneshgar Moghaddam, Saeed Jamehbozorgi, Mahyar Rezvani +2

    Maqola20213 iqtibos
    ABI

  11. Recent advances in supramolecular fullerene chemistry

    Xingmao Chang, Youzhi Xu, Max von Delius

    Sharh maqola20233 iqtibos
    ABI

  12. Designing a graphene nanoflake for the adsorption of pyrazinamide antimicrobial drug to be used as a potential delivery platform based on DFT assessments

    Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +4

    MaqolaGraphene and Nanomaterials ApplicationsMicrochemical Journal20252 iqtibos
    ABI

  13. A Global Perspective on Pyrazinamide Resistance: Systematic Review and Meta-Analysis

    Michael G. Whitfield, Heidi M. Soeters, Robin M. Warren +5

    Sharh maqola20152 iqtibos
    ABI

  14. Enhancing adsorption capacity of nano-adsorbents via surface modification: A review

    Milton Manyangadze, N.H.M. Chikuruwo, T. Bala Narsaiah +3

    Sharh maqola20192 iqtibos
    ABI

  15. Mechanisms of Pyrazinamide Action and Resistance

    Ying Zhang, Wanliang Shi, Wenhong Zhang +1

    Sharh maqola20142 iqtibos
    ABI

  16. Innovative Nanodelivery Systems Transform Tuberculosis Treatment with Pyrazinamide-loaded Chitosan Nanoparticles

    Pooneh Kia, Mohd Zobir Hussein, Umme Ruman +4

    Maqola20242 iqtibos
    ABI

  17. Density functional theory analyses of pyrazinamide adsorption by the assistance of iron-decorated metallofullerenes for assessing the drug delivery insights

    Mohamed J. Saadh, Chou‐Yi Hsu, Raad Shaker +6

    Maqola20242 iqtibos
    ABI

  18. Exploring smart drug delivery platforms through the adsorption of chlormethine anticancer by an iron-enhanced metallofullerene

    Mohamed J. Saadh, Shahad Mohammed Dhiaa, A.H.A. Hussein +5

    Maqola20242 iqtibos
    ABI

  19. Assessing the structural and electronic features of C24, B12C12 and Al12C12 fullerenes for the adsorption of methimazole to develop potential drug delivery systems

    Abdulilah Ece, Mahmoud Mirzaei, Zahraa Sabah Ghnim +5

    Maqola20242 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI