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75 ta ish

Ish: Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and ADME/T studies

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

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

  2. Anti-corrosion performance of 8-hydroxyquinoline derivatives for mild steel in acidic medium: Gravimetric, electrochemical, DFT and molecular dynamics simulation investigations

    Dhaybia Douche, H. Elmsellem, El Hassane Anouar +7

    Maqola20209 iqtibos
    ABI

  3. Synthesis, characterization, and in vitro antimicrobial investigation of novel pyran derivatives based on 8-hydroxyquinoline

    Mohamed Rbaa, Abdelhadi Hichar, Omar Bazdi +3

    Maqola20197 iqtibos
    ABI

  4. Hartree-Fock Calculations with Skyrme's Interaction. I. Spherical Nuclei

    D. Vautherin, D.M. Brink

    Maqola19727 iqtibos
    ABI

  5. Sarlavhasiz

    Boshqa6 iqtibos
    ABI

  6. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

    Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski +1

    Maqola19946 iqtibos
    ABI

  7. 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

  8. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

    G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day +2

    Maqola20135 iqtibos
    ABI

  9. Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

    Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky +5

    Maqola20065 iqtibos
    ABI

  10. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

    Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy +1

    Sharh maqola20015 iqtibos
    ABI

  11. Lead- and drug-like compounds: the rule-of-five revolution

    Christopher A. Lipinski

    Maqola20044 iqtibos
    ABI

  12. Synthesis, Characterization and Biological Activity of New Pyran Derivatives of 8-Hydroxyquinoline

    C Rajabhushanam, Yasvand Cumaar S

    Maqola20193 iqtibos
    ABI

  13. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  14. Synthesis, Characterization and Biological Activity of new Pyran Derivatives of 8-Hydroxyquinoline

    Mohamed Rbaa, Omar Bazdi, Abdelhadi Hichar +3

    Maqola20193 iqtibos
    ABI

  15. Experimental and Theoretical Study of Effect of Allium sativum Extracts as Corrosion Inhibitor on Mild Steel in 1 M HCl Medium

    Lokendra Kumar Ojha, Burak Tüzün, Jeetendra Bhawsar

    Maqola20203 iqtibos
    ABI

  16. Crystal structure of the BRCT repeat region from the breast cancer-associated protein BRCA1.

    R. Scott Williams, Ruth Green, J. N. Mark Glover

    Maqola20013 iqtibos
    ABI

  17. Investigation of Benzimidazole Derivates as Corrosion Inhibitor by DFT

    Burak Tüzün

    Maqola20193 iqtibos
    ABI

  18. Antibacterial properties of nanoparticles

    Mohammad Javad Hajipour, Katharina M. Fromm, Ali Akbar Ashkarran +6

    Sharh maqola20123 iqtibos
    ABI

  19. Distinct Binding Mode of Multikinase Inhibitor Lenvatinib Revealed by Biochemical Characterization

    Kiyoshi Okamoto, Megumi Ikemori‐Kawada, A. Jestel +6

    Maqola20142 iqtibos
    ABI

  20. Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells

    Jothi Anantharajan, Hengbo Zhou, Lingdi Zhang +20

    Maqola20192 iqtibos
    ABI

  21. Molecular docking and 4D-QSAR model of methanone derivatives by electron conformational-genetic algorithm method

    Burak Tüzün, Emin Sarıpınar

    Maqola20192 iqtibos
    ABI

  22. New anti-viral drugs for the treatment of COVID-19 instead of favipiravir

    Ahmet Hamdi Aktaş, Burak Tüzün, Rukiye Aslan +2

    Maqola20202 iqtibos
    ABI

  23. Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?

    Erhan Can Çetiner, Koray Sayın, Burak Tüzün +1

    Maqola20212 iqtibos
    ABI

  24. Determination of inhibitor activity of drugs against the COVID-19

    Mustafa Asım Gedikli, Burak Tüzün, Koray Sayın +1

    Maqola20212 iqtibos
    ABI

  25. Could Peganum harmala be effective in the treatment of COVID-19?

    Burak Tüzün, Tohfa Nasibova, E. A. Garaev +2

    Maqola20212 iqtibos
    ABI