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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

    MaqolaGlobal Cancer Incidence and ScreeningCA A Cancer Journal for Clinicians202160 iqtibos
    ABI

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

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

    Maqola201530 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

    Maqola199316 iqtibos
    ABI

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

    Jing Huang, Sarah Rauscher, Grzegorz Nawrocki +5

    Maqola20168 iqtibos
    ABI

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

    Pekka Mark, Lennart Nilsson

    Maqola20018 iqtibos
    ABI

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

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

    Maqola20227 iqtibos
    ABI

  7. 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 maqola20227 iqtibos
    ABI

  8. 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

    Maqola20216 iqtibos
    ABI

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

    Nicolas Guex, Manuel C. Peitsch

    Maqola19975 iqtibos
    ABI

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

    Qia Ke, Xiaoting Gong, Shouwei Liao +2

    Maqola20225 iqtibos
    ABI

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

    Teresa Glomb, Piotr Świątek

    Sharh maqola20215 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

    Maqola20224 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, Аleksandr S. Kazachenko +4

    Maqola20234 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

    Maqola20104 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

    Maqola20213 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

    Maqola20213 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

    Boshqa1 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa1 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