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102 ta ish

Ish: New quinoxaline-oxadiazole hybrids as tubulin inhibitors: Synthesis, cytotoxicity, and molecular dynamics simulations

  1. Global Cancer Statistics 2020: GLOBOCAN Estimates of Incidence and Mortality Worldwide for 36 Cancers in 185 Countries

    Hyuna Sung, Jacques Ferlay, Rebecca L. Siegel +4

    MaqolaOchiq kirishGlobal Cancer Incidence and ScreeningCA A Cancer Journal for Clinicians202167 iqtibos
    ABI

  2. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    MaqolaOchiq kirish201541 iqtibos
    ABI

  3. Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

    Tom Darden, Darrin M. York, Lee G. Pedersen

    MaqolaOchiq kirish199317 iqtibos
    ABI

  4. Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent

    Aleksandr S. Kazachenko, Noureddine Issaoui, Mouna Medimagh +7

    MaqolaOchiq kirish20229 iqtibos
    ABI

  5. CHARMM36m: an improved force field for folded and intrinsically disordered proteins

    Jing Huang, Sarah Rauscher, Grzegorz Nawrocki +5

    MaqolaOchiq kirish20169 iqtibos
    ABI

  6. Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K

    Pekka Mark, Lennart Nilsson

    Maqola20019 iqtibos
    ABI

  7. Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

    Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui +4

    MaqolaOchiq kirish20217 iqtibos
    ABI

  8. Cancer chemotherapy and beyond: Current status, drug candidates, associated risks and progress in targeted therapeutics

    Uttpal Anand, Abhijit Dey, Arvind K. Singh Chandel +11

    Sharh maqolaOchiq kirish20227 iqtibos
    ABI

  9. Effects of thermostats/barostats on physical properties of liquids by molecular dynamics simulations

    Qia Ke, Xiaoting Gong, Shouwei Liao +2

    Maqola20227 iqtibos
    ABI

  10. Antimicrobial Activity of 1,3,4-Oxadiazole Derivatives

    Teresa Glomb, Piotr Świątek

    Sharh maqola20217 iqtibos
    ABI

  11. SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling

    Nicolas Guex, Manuel C. Peitsch

    Maqola19975 iqtibos
    ABI

  12. Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

    Arulraj Ramalingam, Murugavel Kuppusamy, Sivakumar Sambandam +5

    MaqolaOchiq kirish20225 iqtibos
    ABI

  13. Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri

    Feride Akman, Azize Demirpolat, Aleksandr S. Kazachenko +4

    MaqolaOchiq kirish20235 iqtibos
    ABI

  14. g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

    Jochen S. Hub, Bert L. de Groot, David van der Spoel

    Maqola20105 iqtibos
    ABI

  15. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study

    Sofian Gatfaoui, Noureddine Issaoui, Silvia Antonia Brandán +5

    MaqolaOchiq kirish20214 iqtibos
    ABI

  16. Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations

    Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh +2

    MaqolaOchiq kirish20213 iqtibos
    ABI

  17. In-Silico Analysis of the Interaction of Quinalphos and 2-Hydroxyquinoxaline with Organophosphate Hydrolase and Oxygenases

    Kanderi Dileep Kumar, Satyanarayana Swamy Vyshnava, Balappagari Somappagari +97

    Maqola20212 iqtibos
    ABI

  18. LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

    Roman A. Laskowski, Mark B. Swindells

    Maqola20112 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa2 iqtibos
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  22. Sarlavhasiz

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  23. Sarlavhasiz

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  25. Sarlavhasiz

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