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  1. 2023

  2. In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins

    Burkhanova, T. M., Krysantieva, A., Babashkina, M., Konyaeva, I., Monina, L. N., Goncharenko, A. & Safin, D., 1 Aug 2023, In: Structural Chemistry. 34, 4, p. 1545-1556 10 p.

    Research output: Contribution to journal › Article › peer-review

  3. 1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

    Babashkina, M. G., Taskin-Tok, T., Burkhanova, T. & Safin, D. A., 28 May 2023, In: Polycyclic Aromatic Compounds. 43, 5, p. 4729-4749 21 p.

    Research output: Contribution to journal › Article › peer-review

  4. Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

    Alkhimova, L., Sharov, A., Burkhanova, T., Babashkina, M. & Safin, D., 16 Mar 2023, In: Polycyclic Aromatic Compounds. 43, 3, p. 2599-2617 19 p.

    Research output: Contribution to journal › Article › peer-review

  5. 2022

  6. In silico studies of 6-phenyl-3-(pyridin-2-yl)-1,2,4-triazine as a corrosion inhibitor for some important metals used in implants

    Babashkina, M. G., Burkhanova, T. M. & Safin, D. A., Dec 2022, In: Journal of Chemical Sciences. 134, 4, 109.

    Research output: Contribution to journal › Article › peer-review

  7. Correction: Computational Analysis of Molnupiravir (Int. J. Mol. Sci., (2022), 23, (1508), 10.3390/ijms23031508)

    Sharov, A. V., Burkhanova, T. M., Taskın Tok, T., Babashkina, M. G. & Safin, D. A., Nov 2022, In: International Journal of Molecular Sciences. 23, 21, 13026.

    Research output: Contribution to journal › Comment/debate › peer-review

  8. Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins

    Burkhanova, T. M., Babashkina, M. G., Taskin-Tok, T., Sharov, A. V. & Safin, D. A., May 2022, In: Journal of the Iranian Chemical Society. 19, 5, p. 1979-1991 13 p.

    Research output: Contribution to journal › Article › peer-review

  9. A readily available structural analogue of integrastatins A and B: Insight into the crystal structure, Hirshfeld surface analysis and computational study

    Alkhimova, L. E., Burkhanova, T. M., Babashkina, M. G. & Safin, D. A., 12 Mar 2022, In: Tetrahedron. 109, 14 p., 132671.

    Research output: Contribution to journal › Article › peer-review

  10. Computational Analysis of Molnupiravir

    Sharov, A. V., Burkhanova, T. M., Tok, T. T., Babashkina, M. G. & Safin, D. A., 1 Feb 2022, In: International Journal of Molecular Sciences. 23, 3, 18 p., 1508.

    Research output: Contribution to journal › Article › peer-review

  11. 2021

  12. A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity

    Shiryaev, A. A., Goncharenko, A. N., Burkhanova, T. M., Alkhimova, L. E., Babashkina, M. G., Chandrasekaran, R. & Safin, D. A., Nov 2021, In: Journal of the Iranian Chemical Society. 18, 11, p. 2897-2911 15 p.

    Research output: Contribution to journal › Article › peer-review

  13. Supramolecular structures of NiIIand CuIIwith the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

    Shiryaev, A. A., Burkhanova, T. M., Mitoraj, M. P., Kukulka, M., Sagan, F., Mahmoudi, G., Babashkina, M. G., Bolte, M. & Safin, D. A., 1 May 2021, In: IUCrJ. 8, p. 351-361 11 p.

    Research output: Contribution to journal › Article › peer-review

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