| Дата публикации | Название | Авторы |
| 2024 | Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide | Mahmoudi, G.; Garcia-Santos, I.; Castiñeiras, A.; Fernández-Vazquez, R.; Servati, Gargari, M.; Gomila, R. M.; Frontera, A.; Safin, D. A. |
| 2022 | A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties | Ruseikina, A. V.; Grigoriev, M. V.; Solovyov, L. A.; Chernyshev, V. A.; Aleksandrovsky, A. S.; Krylov, A. S.; Krylova, S. N.; Shestakov, N. P.; Velikanov, D. A.; Garmonov, A. A.; Matigorov, A. V.; Eberle, M. A.; Schleid, T.; Safin, D. A. |
| 2022 | Computational Analysis of Molnupiravir | Sharov, A. V.; Burkhanova, T. M.; Tok, T. T.; Babashkina, M. G.; Safin, D. A. |
| 2024 | Computational studies of closely related 2-cyanopyrimidine, pyrimidine-2-carboximidamide and 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine with a potency against SARS-CoV-2 | Taskin-Tok, T.; Safin, D. A. |
| 2023 | Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins | Panova, E. V.; Voronina, J. K.; Safin, D. A. |
| 2022 | 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. |
| 2019 | Correction: Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes-experimental and theoretical investigations (RSC Advances (2019) 9 (23764-23773) DOI: 10.1039/C9RA05276C) | Mitoraj, M. P.; Afkhami, F. A.; Mahmoudi, G.; Khandar, A. A.; Gurbanov, A. V.; Zubkov, F. I.; Waterman, R.; Babashkina, M. G.; Szczepanik, D. W.; Jena, H. S.; Safin, D. A. |
| 2022 | Correction:Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations(Int. J. Mol. Sci., (2021), 22, (5337), 10.3390/ijms22105337) | Mahmoudi, G.; Babashkina, M. G.; Maniukiewicz, W.; Afkhami, F. A.; Nunna, B. B.; Zubkov, F. I.; Ptaszek, A. L.; Szczepanik, D. W.; Mitoraj, M. P.; Safin, D. A. |
| 2023 | DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal | Garkusha, N. A.; Anikeeva, O. P.; Bayıl, I.; Taskin-Tok, T.; Safin, D. A. |
| 2021 | A family of ethyl n-salicylideneglycinate dyes stabilized by intramolecular hydrogen bonding: Photophysical properties and computational study | Alkhimova, L. E.; Babashkina, M. G.; Safin, D. A. |
| 2022 | Favipiravir: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study | Babashkina, M. G.; Frontera, A.; Kertman, A. V.; Saygideger, Y.; Murugavel, S.; Safin, D. A. |
| 2023 | 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. I.; Babashkina, M. G.; Konyaeva, I. A.; Monina, L. N.; Goncharenko, A. N.; Safin, D. A. |
| 2024 | IN SILICO STUDIES OF CO(II) AND CO(III) COMPLEXES DERIVED FROM BULKY SCHIFF BASES | Panova, E. V.; Safin, D. A. |
| 2020 | Lead(ii) Coordination Polymers Driven by Pyridine-Hydrazine Donors: From Anion-Guided Self-Assembly to Structural Features | Mahmoudi, G.; Afkhami, F. A.; Kennedy, A. R.; Zubkov, F. I.; Zangrando, E.; Kirillov, A. M.; Molins, E.; Mitoraj, M. P.; Safin, D. A. |
| 2023 | N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins | Garcia-Santos, I.; Castiñeiras, A.; Eftekhari, Sis, B.; Mahmoudi, G.; Safin, D. A. |
| 2022 | 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. |
| 2021 | A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: Coordination-induced generation of a π-hole towards a tetrel-bonding stabilized structure | Mahmoudi, G.; Masoudiasl, A.; Afkhami, F. A.; White, J. M.; Zangrando, E.; Gurbanov, A. V.; Frontera, A.; Safin, D. A. |
| 2023 | A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins | Krysantieva, A. I.; Voronina, J. K.; Safin, D. A. |
| 2023 | A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins | Omar, R. A.; Koparir, P.; Sarac, K.; Koparir, M.; Safin, D. A. |
| 2024 | On the pivotal role of tetrel bonding in the supramolecular architectures of PbII-NCS complexes with chelating thiosemicarbazide derivatives | Eftekhari-Sis, B.; García-Santos, I.; Castiñeiras, A.; Mahmoudi, G.; Zangrando, E.; Frontera, A.; Safin, D. A. |
| 2022 | Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies | Grigoriev, M. V.; Solovyov, L. A.; Ruseikina, A. V.; Aleksandrovsky, A. S.; Chernyshev, V. A.; Velikanov, D. A.; Garmonov, A. A.; Molokeev, M. S.; Oreshonkov, A. S.; Shestakov, N. P.; Matigorov, A. V.; Volkova, S. S.; Ostapchuk, E. A.; Kertman, A. V.; Schleid, T.; Safin, D. A. |
| 2021 | Solvent-induced formation of novel ni(Ii) complexes derived from bis-thiosemicarbazone ligand: An insight from experimental and theoretical investigations | Mahmoudi, G.; Babashkina, M. G.; Maniukiewicz, W.; Afkhami, F. A.; Nunna, B. B.; Zubkov, F. I.; Ptaszek, A. L.; Szczepanik, D. W.; Mitoraj, M. P.; Safin, D. A. |
| 2021 | Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative | Mahmoudi, G.; Zangrando, E.; Miroslaw, B.; Gurbanov, A. V.; Babashkina, M. G.; Frontera, A.; Safin, D. A. |
| 2022 | Supramolecular aggregation of lead(II) perchlorate and a thiosemicarbazide derivative linked by a myriad of non-covalent interactions | García-Santos, I.; Castiñeiras, A.; Mahmoudi, G.; Babashkina, M. G.; Zangrando, E.; Gomila, R. M.; Frontera, A.; Safin, D. A. |
| 2021 | 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. |
| 2020 | Tetrel bonding and other non-covalent interactions assisted supramolecular aggregation in a new Pb(II) complex of an isonicotinohydrazide | Mahmoudi, G.; Abedi, M.; Lawrence, S. E.; Zangrando, E.; Babashkina, M. G.; Klein, A.; Frontera, A.; Safin, D. A. |
| 2021 | α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal Structures, Hirshfeld Surface Analysis, Computational Studies and in Silico Molecular Docking with the SARS-CoV-2 Proteins | Alkhimova, L. E.; Babashkina, M. G.; Safin, D. A. |
