| Gallium as an Antibacterial Agent: A DFT/SMD Study of the Ga3+/Fe3+ Competition for Binding Bacterial Siderophores N Kircheva, T Dudev Inorganic Chemistry 59 (9), 6242-6254, 2020 | 41 | 2020 |
| Competition between abiogenic and biogenic metal cations in biological systems: Mechanisms of gallium‘s anticancer and antibacterial effect N Kircheva, T Dudev Journal of Inorganic Biochemistry 214, 111309, 2021 | 27 | 2021 |
| Novel Insights into Gallium’s Mechanism of Therapeutic Action: A DFT/PCM Study of the Interaction between Ga3+ and Ribonucleotide Reductase Substrates N Kircheva, T Dudev The Journal of Physical Chemistry B 123 (26), 5444-5451, 2019 | 15 | 2019 |
| Strontium binding to α-parvalbumin, a canonical calcium-binding protein of the “EF-hand” family AA Vologzhannikova, MP Shevelyova, AS Kazakov, AS Sokolov, ... Biomolecules 11 (8), 1158, 2021 | 14 | 2021 |
| Complexation of biologically essential (mono-and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition N Kircheva, S Dobrev, L Dasheva, I Koleva, V Nikolova, S Angelova, ... RSC advances 10 (47), 28139-28147, 2020 | 14 | 2020 |
| Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD Calculations N Kircheva, S Dobrev, V Nikolova, S Angelova, T Dudev Inorganic Chemistry 59 (23), 17347-17355, 2020 | 13 | 2020 |
| Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ Competition V Nikolova, N Kircheva, S Dobrev, S Angelova, T Dudev International Journal of Molecular Sciences 24 (7), 6297, 2023 | 10 | 2023 |
| Host–Guest complexation of cucurbit [7] uril and cucurbit [8] uril with the antineoplastic and multiple sclerosis agent mitoxantrone (novantrone) V Nikolova, A Velinova, S Dobrev, N Kircheva, S Angelova, T Dudev The Journal of Physical Chemistry A 125 (2), 536-542, 2021 | 9 | 2021 |
| Theoretical insight into the phosphate-targeted silver’s antibacterial action: Differentiation between gram (+) and gram (−) bacteria N Kircheva, S Dobrev, V Nikolova, S Angelova, T Dudev Inorganic Chemistry 61 (26), 10089-10100, 2022 | 7 | 2022 |
| Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activity S Dobrev, N Kircheva, V Nikolova, S Angelova, T Dudev Computational Biology and Chemistry 101, 107785, 2022 | 6 | 2022 |
| Holo-chromodulin: competition between the native Cr3+ and other biogenic cations (Fe3+, Fe2+, Mg2+, and Zn2+) for the binding sites N Kircheva, N Toshev, T Dudev Metallomics 14 (10), mfac082, 2022 | 6 | 2022 |
| Molecular insights into the interaction of angiotensin I-converting enzyme (ACE) inhibitors and HEXXH motif N Kircheva, S Dobrev, B Yakimova, I Stoineva, S Angelova Biophysical Chemistry 276, 106626, 2021 | 6 | 2021 |
| Complexation of trivalent metal cations (Al 3+, Ga 3+, In 3+, La 3+, Lu 3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition IZ Koleva, S Dobrev, N Kircheva, L Dasheva, V Nikolova, S Angelova, ... Physical Chemistry Chemical Physics 24 (10), 6274-6281, 2022 | 5 | 2022 |
| Cu+/Ag+ Competition in Type I Copper Proteins (T1Cu) N Kircheva, S Angelova, S Dobrev, V Petkova, V Nikolova, T Dudev Biomolecules 13 (4), 681, 2023 | 4 | 2023 |
| Host-guest complexation of cucurbit [7] uril and cucurbit [8] uril with the antimuscarinic drugs tropicamide and atropine V Nikolova, S Dobrev, N Kircheva, V Yordanova, T Dudev, S Angelova Journal of Molecular Graphics and Modelling 119, 108380, 2023 | 4 | 2023 |
| Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit [7] Uril and Cucurbit [8] Uril: A DFT Evaluation of the Key Factors Governing the Host–Guest Recognition N Kircheva, S Dobrev, L Dasheva, V Nikolova, S Angelova, T Dudev Molecules 28 (4), 1540, 2023 | 4 | 2023 |
| Theoretical Assessment of the Ligand/Metal/Quadruplex Recognition in the Non-Canonical Nucleic Acids Structures N Kircheva, S Dobrev, V Petkova, S Bakalova, J Kaneti, S Angelova Molecules 28 (16), 6109, 2023 | 2 | 2023 |
| Mechanism of therapeutic action of abiogenic Li+ and Ga3+ ions: insights from theoretical studies N Kircheva, T Dudev BULGARIAN CHEMICAL COMMUNICATIONS, 55, 2018 | 2 | 2018 |
| Electrostatic interactions–key determinants of the metal selectivity in La 3+ and Ca 2+ binding proteins S Angelova, N Kircheva, V Nikolova, S Dobrev, T Dudev Physical Chemistry Chemical Physics 25 (27), 18149-18157, 2023 | 1 | 2023 |
| Theoretical study of β-cyclodextrin inclusion complexes with vitamin K V Petkova, V Nikolova, N Kircheva, S Dobrev, S Angelova, T Dudev Innovations 11 (1), 37-40, 2023 | 1 | 2023 |
Todor DudevProfessor in Chemistry, University of Sofiachem.uni-sofia.bg üzerinde doğrulanmış e-posta adresine sahip
