| Глава от книга |
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1
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C. Lim, T. Dudev, Potassium Versus Sodium Selectivity in Monovalent Ion Channel Selectivity Filters” in The Alkali Metal Ions: Their Role for Life , Vol. 16 of Metal Ions in Life Sciences (Eds. A. Sigel, H. Sigel, R.K.O. Sigel), Springer International, Cham, Switzerland, 2016, pp. 325-347., Springer, Ref, Рецензирано, в сътрудничество с чуждестранни учени
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2016
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2
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T. Dudev, C. Lim, Calcium Ion Selectivity in Biological Systems, in Encyclopedia of Metalloproteins (V.N. Uversky, R.H. Kretsinger, E.A. Permyakov, Eds.), Springer Science, New York, Рецензирано, в сътрудничество с чуждестранни учени
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2013
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3
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T. Kamisuki, T. Dudev, C. Hirose, Transient Resonance CARS Study on Photoionization of Shorter Diphenylpolyenes in Various Polar Solvents, Springer-Verlag, Berlin, в сътрудничество с чуждестранни учени
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1992
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4
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B. Galabov, T. Dudev, J.R. Durig, Molecular Conformation from Vibrational Intensity Analysis, Teubner, Leipzig, в сътрудничество с чуждестранни учени
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1988
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| Дисертация доктор на науките |
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Тодор Минков Дудев, Фактори, управляващи процесите на метално свързване и селективност в металопротеини и йонни канали: in silico изследвания, Факултет по химия и фармация
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2015
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| Книга |
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1
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Dudev, Todor, T. Dudev, Metal binding affinity and selectivity in metalloproteins: Insights from computational studies, ISSN (print):
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2008
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2
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Boris S. Galabov, Todor Dudev, Vibrational Intensities, Elsevier , Amsterdam, Рецензирано
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1996
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| Научен проект |
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1
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Тодор Дудев, Интегрирано експериментално и теоретично изследване на взаимодействието на калциеви протеини със стронциеви йони. Следствия относно използването на стронция в медицината и фармакологията, Ръководител, , Номер на договора:КП-06-Русия/30
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2019
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2
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Тодор Дудев, Комплекси на флуоресцентни багрила с биомиметични молекулни контейнери - BIRDCagE, Ръководител, , Номер на договора:КП-06-Н39/10
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2019
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3
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Тодор Дудев, Галият като терапевтично средство. Изследвания върху процесите на конкуренция между Ga3+ и Fe3+ в биологични системи, Ръководител, СУ , Номер на договора:164
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2015
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| Научно ръководство |
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1
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Тодор Дудев, Теоретично изследване на механизма на терапевтично действие на абиогенния метален катион галий(III), СУ "Св. Кл. Охридски" дисертация д-р:Николета Кирчева
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2020
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2
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Тодор Дудев, Теоретично изследване на комплекси на включване на основата на кукурбит[5]урил, Факултет по химия и фармация, СУ дипломна работа:Любима Дашева
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2018
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3
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Тодор Дудев, Фактори, определящи металния афинитет и селективност на серия от инхибитори на HDAC с потенциално приложение във фармацевтичната практика, Факултет по химия и фармация, СУ дипломна работа:Николай Тошев
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2017
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4
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Тодор Дудев, Комплекси на включване на основата на циклодекстрини, Факултет по химия и фармация, СУ дисертация д-р:Стилияна Перева
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2017
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5
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Тодор Дудев, Теоретично изследване на комплекси на йони на метали от IIА и IIБ група с a-циклодекстрин, дипломна работа:Невсе Молла
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2016
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6
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Тодор Дудев, Фактори, управляващи процесите на метално свързване и селективност в комплекси на катиони на метали от IIА и IIБ група с бета-циклодекстрин, Факултет по химия и фармация, СУ дипломна работа:Бойка Балканджийска
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2016
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7
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Тодор Дудев, Галият като терапевтично средство. Квантово-химично изследване на конкуренцията между Ga3+ и Fe2+/3+ в биологични системи, Факултет по химия и фармация, СУ дипломна работа:Николета Кирчева
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2015
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8
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Тодор Дудев, Механизъм на аминолиза на метил N-метилкарбамат, Факултет по химия и фармация, СУ дипломна работа:Елизабет Василева
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2014
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| Статия в научно списание |
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1
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T. Sarafska, S. Ivanova, T. Dudev, V. Petrov, T. Spassov, Beta-cyclodextrin – Citric acid complexation by ball milling and annealing, J. Mol. Struct., vol:1295, 2024, pages:136701-0, Ref, Web of Science
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2024
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2
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N. Kircheva, S. Angelova, T. Dudev, Carbonic Anhydrases: Different Active Sites, Same Metal Selectivity Rules
, Molecules, vol:29, 2024, pages:1995-0, Ref, Web of Science
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2024
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3
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S. Pereva, S. Dobrev, T. Saravska, V. Nikolova, S. Angelova, T. Spassov, T. Dudev, Deciphering the mechanism of γ-cyclodextrin’s hydrophobic cavity hydration: an integrated experimental and theoretical study, Beilstein J. Org. Chem., vol:20, 2024, pages:2635-2643, Ref, Web of Science
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2024
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4
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V. Petkova, S. Dobrev, N. Kircheva, D. Nazarova, L. Nedelchev, V. Nikolova, T. Dudev, S. Angelova, DFT prediction of laser dyes - cucurbit[7]uril binding affinities, Molecules, vol:29, 2024, pages:4394-0, Ref, Web of Science
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2024
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5
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T. Sarafska, M. Spassova, T. Dudev, S. Pereva, S. Stoyanov, T. Spassov, Easy and Effective Method for α-CD:N2O Host–Guest Complex Formation, Int. J. Mol. Sci., vol:25, 2024, pages:5472-0, Ref, Web of Science
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2024
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6
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T. Sarafska, S. Ivanova, T. Dudev, C. Tzachev, V. Petrov, T. Spassov, Enhanced Solubility of Ibuprofen by Complexation with β-cyclodextrin and Citric Acid, Molecules, vol:29, 2024, pages:1650-0, Ref, Web of Science
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2024
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7
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N. Kircheva, S. Dobrev, V. Nikolova, L. Yocheva, S. Angelova, T. Dudev, Implementation of Three Gallium-Based Complexes in the “Trojan Horse” Antibacterial Strategy against A. baumannii: A DFT Approach, Inorg. Chem., vol:63, 2024, pages:15409-15420, Ref, Web of Science
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2024
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8
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N. Kircheva, S. Dobrev, V. Petkova, L. Yocheva, S. Angelova, T. Dudev, In silico Analysis of the Ga3+/Fe3+ Competition for Binding the Iron-Scavenging Siderophores of P. aeruginosa Implementation of Three Gallium-Based Complexes in the “Trojan horse” Antibacterial Strategy, Biomolecules, vol:14, 2024, pages:487-0, Ref, Web of Science
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2024
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9
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T. Dudev, T. Spassov, Inclusion Complexes between β-Cyclodextrin and Gaseous Substances—N2O, CO2, HCN, NO2, SO2, CH4 and CH3CH2CH3: Role of the Host’s Cavity Hydration, Inorganics, vol:12, 2024, pages:110-0, Ref, Web of Science
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2024
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10
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Vladislava Petkova, Denitsa Anastasova, Stefan Dobrev, Monika Mutovska, Nikoleta Kircheva, Valya Nikolova, Stanimir Stoyanov, Yulian Zagranyarski, Todor Dudev, Silvia Angelova, Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules, Molecules, vol:29, issue:17, 2024, pages:4204-0, doi:https://doi.org/10.3390/molecules29174204, Ref, Web of Science, Web of Science Quartile: Q1 (2024), SCOPUS Quartile: Q1 (2024), PhD, MSc
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2024
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11
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Nikoleta Kircheva, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev, Complexation of metal cations (mono-, di- and trivalent) to cucurbiturils: Insights from a DFT/SMD study, XVI INTERNATIONAL CONFERENCE FOR YOUNG RESEARCHERS- RROCEEDINGS, issue:1, 2023, pages:9-12
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2023
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12
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Nikoleta Kircheva, Silvia Angelova, Stefan Dobrev, Vladislava Petkova, Valya Nikolova, Todor Dudev, Cu+/Ag+ Competition in Type I Copper Proteins (T1Cu), Biomolecules, vol:13, issue:4, 2023, ISSN (print):2218-273X, doi:doi.org/10.3390/biom13040681, Ref, Web of Science, IF (5.5 - 2022), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (1.074 - 2023)
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2023
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13
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Silvia Angelova, Nikoleta Kircheva, Valya Nikolova, Stefan Dobrev, Todor Dudev, Electrostatic interactions - key determinants of the metal selectivity in La3+ and Ca2+ binding proteins, Physical Chemistry Chemical Physics, vol:25, issue:23, 2023, pages:18149-18157, ISSN (print):1463-9076, doi:10.1039/D3CP01978K, Ref, Web of Science, IF (3.3 - 2023), SCOPUS, SJR (0.824 - )
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2023
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14
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V. Nikolova, S. Dobrev, N. Kircheva, V. Yourdanova, T. Dudev, S. Angelova, Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antimuscarinic drugs tropicamide and atropine, J. Mol. Graph. Modell., vol:119, 2023, pages:108380-0, Ref, IF, IF (2.518 - 2021), SCOPUS, SJR ( - 2021), SCOPUS Quartile: Q2 (2023), MSc
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2023
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15
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Valya Nikolova, Stefan Dobrev, Nikoleta Kircheva, Victoria Yordanova, Todor Dudev, Silvia Angelova, Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antimuscarinic drugs tropicamide and atropine, Journal of Molecular Graphics and Modelling , vol:119, issue:108380, 2023, pages:103830-0, ISSN (print):1093-3263, doi:10.1016/j.jmgm.2022.108380, Ref, Web of Science, IF (2.942 - ), Web of Science Quartile: Q2 (2023), SCOPUS, SJR (0.423 - ), MSc
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2023
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16
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Todor Dudev, How theoretical evaluations can generate guidelines for designing/engineering metalloproteins with desired metal affinity and selectivity, Molecules, vol:28, 2023, pages:249-0, Ref, IF, IF (4.927 - 2021), Web of Science Quartile: Q2 (2023), SCOPUS, SJR ( - 2021), SCOPUS Quartile: Q1 (2023)
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2023
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17
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Valya Nikolova, Nikoleta Kircheva, Stefan Dobrev, Silvia Angelova, Todor Dudev, Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ Competition, International Journal of Molecular Sciences, vol:24, issue:7, 2023, pages:6297-0, ISSN (print):1422-0067, doi:10.3390/ijms24076297, Ref, Web of Science, IF (5.6 - 2022), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (1.154 - )
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2023
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18
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Nikoleta Kircheva, Stefan Dobrev, Lyubima Dasheva, Valya Nikolova, Silvia Angelova, Todor Dudev, 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, Molecules, issue:28, 2023, pages:1540-0, doi:10.3390/molecules28041540, Ref, IF (4.6 - ), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (0.704 - )
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2023
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19
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Nikoleta Kircheva, Vladislava Petkova, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev, N-Methyl- and N-Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host–Guest Recognition, Molecules, issue:28, 2023, pages:8130-0, doi:10.3390/molecules28248130, Ref, IF (4.6 - ), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (0.704 - )
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2023
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20
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K. Mazmanian, C. Grauffel, T. Dudev, C. Lim, Protein Ca2+ sites prone to Sr2+ substitution: Implications for strontium therapy, J. Phys. Chem., vol:B127, 2023, pages:55885600-0, Ref, Web of Science, International
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2023
|
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21
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Vladislava Petkova, Valya Nikolova, Nikoleta Kircheva, Stefan Dobrev, Silvia Angelova, Todor Dudev, Theoretical study of β-cyclodextrin inclusion complexes with vitamin K., International Scientific Journals "Innovations", , vol:11, issue:1, 2023, pages:37-40, ISSN (print):2603-3763, ISSN (online):2603-3771
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2023
|
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22
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Todor Dudev, Diana Cheshmedzhieva, Peter Dorkov, Ivayla Pantcheva, A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations, Molecules, vol:27, issue:2, 2022, doi:https://doi.org/10.3390/molecules27020532, Ref, Web of Science, IF (4.412 - 2020), SCOPUS, SJR (0.78 - 2020), SCOPUS Quartile: Q1 (2022)
|
2022
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23
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Nikoleta Kircheva, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev, Abiogenic Metals in Medicine. Insights from Theoretical Studies of the Mechanisms of Action of Silver (I), Strontium (II), and Gallium (III), International Scientific Journal "Science, Buseness, Society", issue:1, 2022, pages:13-16
|
2022
|
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24
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N. Kircheva, S. Dobrev, V. Nikolova, S. Angelova, T. Dudev, Abiogenic Metals in Medicine. Insights from Theoretical Studies of the Mechanisms of Action of Silver (I), Strontium (II), and Gallium (III), Int. Sci. J. Science. Business. Society , vol:7, 2022, pages:3-6
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2022
|
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25
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Stefan Dobrev, Nikoleta Kircheva, Valya Nikolova, Silvia Angelova, Todor Dudev, Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activity, Computational Biology and Chemistry, vol:101, 2022, pages:107785-0, doi:10.1016/j.compbiolchem.2022.107785, Ref, IF (3.737 - 2021)
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2022
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26
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S. Dobrev, N. Kircheva, V. Nikolova, S. Angelova, T. Dudev, Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activity, Comp. Biol. Chem., vol:101, 2022, pages:107785-0, Ref, IF, IF (3.737 - 2021), SCOPUS, SJR ( - 2021), SCOPUS Quartile: Q2 (2022)
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2022
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27
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Iskra Z. Koleva, Stefan Dobrev, Nikoleta Kircheva, Lyubima Dasheva, Valya Nikolova, Silvia Angelova, Todor Dudev, Complexation of trivalent metal cations (Al3+, Ga3+, In3+, La3+, Lu3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognition, PCCP, vol:24, 2022, pages:6274-6281, Ref, Web of Science
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2022
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28
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N. Kircheva, N. Toshev, T. Dudev, Holo-chromodulin: Competition between the native Cr3+ and other biogenic cations (Fe3+, Fe2+, Mg2+ and Zn2+) for the binding sites, Metallomics, vol:14, 2022, pages:82-0, Ref, IF, IF (4.828 - 2021), Web of Science Quartile: Q2 (2022), SCOPUS, SJR ( - 2021)
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2022
|
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29
|
N. Kircheva, V. Nikolova, S. Dobrev, S. Angelova, T. Dudev, β-Cyclodextrin-modulated interaction of Gd3+ with levofloxacin: a molecular modeling study, Trends Phys. Chem. , vol:22, 2022, pages:39-49
|
2022
|
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30
|
Nikoleta Kircheva, Valya Nikolova, Stefan Dobrev, Silvia Angelova, Todor Dudev, β-Cyclodextrin-modulated interaction of Gd3+ with levofloxacin: a molecular modeling study, Trends in Physical Chemistry, vol:22, 2022, pages:39-49, Ref, др.(Chemical Abstracts )
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2022
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31
|
Diana Cheshmedzieva, Sonia Ilieva, Eugene A. Permyakov, Sergei E. Permyakov, Todor Dudev, Ca2+/Sr2+ Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium’s Anti-Osteoporosis Effect, Biomolecules, vol:11, issue:11, 2021, pages:1576-0, Ref, Web of Science, IF (4.879 - 2020), Web of Science Quartile: Q2 (Q2), SCOPUS, SJR (1.13 - 2020), SCOPUS Quartile: Q2 (Q2), International
|
2021
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32
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Todor Dudev, Diana Cheshmedzhieva, Sonia Ilieva, Eugene A. Permyakov, Sergei E. Permyakov, Ca2+/Sr2+ Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium’s Anti-Osteoporosis Effect, Biomolecules, vol:11, issue:11, 2021, pages:1156-0, doi: https://doi.org/10.3390/biom11111576, Ref, Web of Science, International
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2021
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33
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Todor Doudev, Cedric Grauffel, Carmay Lim, Calcium in Signaling: Its Specificity and Vulnerabilities toward
Biogenic and Abiogenic Metal Ions
, J. Phys. Chem. B, vol:B 125, 2021, pages:10419-10431, Ref, IF, IF (2.991 - 2021), Web of Science Quartile: Q3 (2021), International
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2021
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34
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T. Dudev, C. Grauffel, C. Lim, Calcium in Signaling: Its Specificity and Vulnerabilities toward
Biogenic and Abiogenic Metal Ions
, J. Phys. Chem. B, vol:125, 2021, pages:10419-10431, Ref, IF, IF (2.991 - 2021), Web of Science Quartile: Q3 (2021), International
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2021
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35
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N. Kircheva, T. Dudev, Competition between abiogenic and biogenic metal cations in biological systems: Mechanisms of gallium‘s anticancer and antibacterial effect, J. Inorg. Biochem., vol:214, 2021, pages:111309-0, Ref, IF, IF (3.212 - 2020), Web of Science Quartile: Q2 (2021)
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2021
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36
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Nikolay Toshev, Diana Cheshmedzhieva, Todor Dudev, Factors governing the affinity and selectivity of histone deacetylase inhibitors for the HDAC8 enzyme active site: Implications for anticancer therapy, Journal of Physical Organic Chemistry , 2021, doi:https://doi.org/10.1002/poc.4268, Ref, Web of Science, IF (2.391 - 2021), Web of Science Quartile: Q3 (2021), SCOPUS, SJR (0.33 - 2020), SCOPUS Quartile: Q3 (2021), International, PhD
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2021
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37
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D. Damyanov, V. Nikolova, S. Angelova, T. Dudev, Halide anion solvation and recognition by bambusurils: a DFT study, J. Mol. Liquids, vol:335, 2021, pages:116160-0, Ref, IF, IF (6.165 - 2021), Web of Science Quartile: Q1 (2021), SCOPUS Quartile: Q1 (2021), MSc
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2021
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38
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Damyan Damyanov, Valya Nikolova, Silvia Angelova, Todor Dudev, Halide anion solvation and recognition by bambusurils: a DFT study, Journal of Molecular Liquids, vol:335, 2021, pages:116160-0, doi:10.1016/j.molliq.2021.116160, Ref, IF (5.065 - ), Web of Science Quartile: Q1 (2021), SCOPUS, SJR (0.883 - )
|
2021
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39
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V. Nikolova, A. Velinova, S. Dobrev, N. Kircheva, S. Angelova, T. Dudev, Host−Guest Complexation of Cucurbit[7]Uril and Cucurbit[8]Uril with the Antineoplastic and Multiple Sclerosis Agent Mitoxantrone (Novantrone), J. Phys. Chem. A, vol:125, 2021, pages:536-542, Ref, IF, IF (2.6 - 2021), Web of Science Quartile: Q2 (2021), SCOPUS Quartile: Q2 (2021), MSc
|
2021
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40
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Valya Nikolova, Anita Velinova, Stefan Dobrev, Nikoleta Kircheva, Silvia Angelova, Todor Dudev, Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antineoplastic and multiple sclerosis (MS) agent mitoxantrone (Novantrone), J. Phys. Chem. A, issue:125, 2021, pages:536-542, doi:10.1021/acs.jpca.0c08544, Ref, IF (2.6 - ), Web of Science Quartile: Q2 (2021), SCOPUS, SJR (0.75 - ), MSc
|
2021
|
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41
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Nikolova, Valya, Velinova, Anita, Dobrev, Stefan, Kircheva, Nikoleta, Angelova, Silvia, T. Dudev, Host-Guest Complexation of Cucurbit[7]Uril and Cucurbit[8]Uril with the Antineoplastic and Multiple Sclerosis Agent Mitoxantrone (Novantrone), JOURNAL OF PHYSICAL CHEMISTRY A, vol:125, issue:2, 2021, pages:536-542, ISSN (print):1089-5639, ISSN (online):1520-5215, doi:10.1021/acs.jpca.0c08544
|
2021
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42
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C. Grauffel, T. Dudev, C. Lim, Metal Affinity/Selectivity of Monophosphate-Containing Signaling/Lipid Molecules, J. Chem. Theor. Comput., vol:17, 2021, pages:2444-2456, Ref, IF, IF (6.006 - 2021), Web of Science Quartile: Q1 (2021), SCOPUS Quartile: Q1 (2021), International
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2021
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43
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A.A. Vologzhannikova, M.P. Shevelyova, A.S. Kazakov, A.S. Sokolov, N.I. Borisova, E. A. Permyakov, N. Kircheva, V. Nikolova, T. Dudev, S.E. Permyakov, Strontium Binding to
α-Parvalbumin, a Canonical Calcium-Binding Protein of the “EF-Hand” Family, Biomolecules, vol:11, 2021, pages:1158-0, Ref, IF, IF (4.879 - 2021), Web of Science Quartile: Q2 (2021), International
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2021
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44
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C. Grauffel, W.-H. Weng, T. Dudev, C. Lim, The Trinuclear Calcium Site in the C2 domain of PKCα/γ is Prone to Lithium Attack, ACS Omega, vol:6, 2021, pages:20657-20666, Ref, IF, IF (3.512 - 2021), Web of Science Quartile: Q2 (2021), International
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2021
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45
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Grauffel, Cedric, Weng, Wei-Hsiang, Dudev, Todor, Lim, carmay, Trinuclear Calcium Site in the C2 Domain of PKC alpha/gamma Is Prone to Lithium Attack, ACS OMEGA, vol:6, issue:31, 2021, pages:20657-20666, ISSN (print):2470-1343, doi:10.1021/acsomega.1c02882, Ref, IF, IF (3.512 - 2021), Web of Science Quartile: Q2 (2021), International
|
2021
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46
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N. Kircheva, S. Dobrev, L. Dasheva, I. Koleva, V. Nikolova, S. Angelova, T. Dudev, Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: A DFT/SMD evaluation of the key factors governing the host-guest recognition, RSC Advances, vol:10, 2020, pages:28139-28147, Ref, IF, IF (3.07 - 2020), Web of Science Quartile: Q1 (2020)
|
2020
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47
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T. Dudev, D. Cheshmedzhieva, R. Dimitrova, P. Dorkov, I. Pancheva, Factors governing the competition between group IA and IB cations for monensin A, RSC Advances, vol:10, 2020, pages:5734-5741, Ref, IF, IF (3.07 - )
|
2020
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48
|
Todor Dudev, Diana Cheshmedzhieva, Radoslava Dimitrova, Peter Dorkov, Ivayla Pantcheva, Factors governing the competition between group IA and IB cations for Monensin A: a DFT/PCM study, RSC Advances, vol:10, issue:10, 2020, pages:5734-5741, ISSN (print):20462069, doi:10.1039/c9ra09784h, Ref, Web of Science, IF (3.119 - 2020), SCOPUS, SJR (0.74 - 2019), SCOPUS Quartile: Q1 (2020)
|
2020
|
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49
|
N. Kircheva, T. Dudev, Gallium as an antibacterial agent: A DFT/SMD study of the Ga3+/Fe3+ competition for binding bacterial siderophores, Inorg. Chem. , vol:59, 2020, pages:6242-6254, Ref, IF, IF (4.85 - ), PhD
|
2020
|
|
50
|
T. Dudev, L.M. Frutos, O. Castano, How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins, Metallomics, vol:12, 2020, pages:363-370, Ref, IF, IF (4.069 - ), International
|
2020
|
|
51
|
Stiliyana Pereva, Valia Nikolova, Tsveta Sarafska, Silvia Angelova, Tony Spassov, Todor Dudev, Inclusion complexes of ibuprofen and β-cyclodextrin: Supramolecular structure and stability, Journal of Molecular Structure, vol:1205, 2020, doi:https://doi.org/10.1016/j.molstruc.2019.127575, Ref, Web of Science, IF (2.463 - ), Web of Science Quartile: Q3 (2020), SCOPUS, SJR (0.45 - ), SCOPUS Quartile: Q2 (2020)
|
2020
|
|
52
|
Stanislava Yordanova-Tomova, Diana Cheshmedzhieva, Stanimir Stoyanov, Todor Dudev, Ivo Grabchev, Synthesis, photophysical characterisation and sensor activity of new 1,8-naphthalimide derivatives, Sensors, vol:20, issue:14, 2020, pages:1-14, ISSN (print):14248220, doi:10.3390/s20143892, Ref, Web of Science, IF (3.275 - 2019), SCOPUS, SJR (0.653 - 2019)
|
2020
|
|
53
|
S. Yordanova-Tomova, D. Cheshmedzhieva, S. Stoyanov, T. Dudev, I. Grabchev, Synthesis, Photophysical Characterization, and Sensor Activity of new 1,8-Naphtalimide Derivatives, Sensors, vol:20, 2020, pages:3892-0, Ref, IF, IF (3.275 - 2020), Web of Science Quartile: Q2 (2020)
|
2020
|
|
54
|
N. Kircheva, S. Dobrev, V. Nikolova, S. Angelova, T. Dudev, Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD Calculations, Inorganic Chemistry, vol:59, 2020, pages:17347-17355, Ref, IF, IF (4.825 - 2020), Web of Science Quartile: Q1 (2020)
|
2020
|
|
55
|
Nikoleta Kircheva, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev, Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD Calculations, INORGANIC CHEMISTRY, vol:59, issue:23, 2020, pages:17347-17355, doi:10.1021/acs.inorgchem.0c02664, Ref, IF (4.825 - 2019), Web of Science Quartile: Q1 (2020)
|
2020
|
|
56
|
Sonia Ilieva, Diana Cheshmedzhieva, Todor Dudev, Electric field influence on the helical structure of peptides: insights from DFT/PCM computations, Physical Chemistry Chemical Physics, vol:21, issue:29, 2019, pages:16198-16206, doi: 10.1039/C9CP01542F, Ref, Web of Science, IF (3.567 - 2018), Web of Science Quartile: Q1 (2019), SCOPUS, SJR (1.31 - 2018), SCOPUS Quartile: Q1 (2019)
|
2019
|
|
57
|
T. Dudev, K. Mazmanian, W.-H. Weng, C. Grauffel, C. Lim, Free and bound lithium in brain signaling, Acc. Chem. Res., vol:52, 2019, pages:2960-2970, Ref, IF, IF (21.661 - 208), Web of Science Quartile: Q1 (2019), International
|
2019
|
|
58
|
Dudev, Todor, Mazmanian, Karine, Weng, Wei-Hsiang, Grauffel, Cedric, T. Dudev, Free and Bound Therapeutic Lithium in Brain Signaling, ACCOUNTS OF CHEMICAL RESEARCH, vol:52, issue:10, 2019, pages:2960-2970, ISSN (print):0001-4842, ISSN (online):1520-4898, doi:10.1021/acs.accounts.9b00389
|
2019
|
|
59
|
Valya Nikolova, Cristina Kirkova, Silvia Angelova, Todor Dudev, Host-guest interactions between p-sulfonatocalix[4]arene and p-sulfonatothiacalix[4]arene and group IA, IIA and f-block metal cations: a DFT/SMD study, BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, vol:15, 2019, pages:1321-1330, doi:10.3762/bjoc.15.131, Ref, IF (2.622 - 2019), Web of Science Quartile: Q2 (2019)
|
2019
|
|
60
|
V. Nikolova, C. Kirkova, S. Angelova, T. Dudev, Host-guest interactions between p-sulfonatocalix[4]arene and p-sulfonatothiacalix[4]arene and group IA, IIA and f-block metal cations: a DFT/SMD study, Beilstein J. Org. Chem., vol:15, 2019, pages:1321-1330, Ref, IF, IF (2.595 - 2018), Web of Science Quartile: Q2 (2019), MSc
|
2019
|
|
61
|
Kircheva, Nikoleta, T. Dudev, Novel Insights into Gallium's Mechanism of Therapeutic Action: A DFT/PCM Study of the Interaction between Ga3+ and Ribonucleotide Reductase Substrates, JOURNAL OF PHYSICAL CHEMISTRY B, vol:123, issue:26, 2019, pages:5444-5451, ISSN (print):1520-6106, doi:10.1021/acs.jpcb.9b03145
|
2019
|
|
62
|
Stiliyana Pereva, Valya Nikolova, Silvia Angelova, Tony Spassov, Todor Dudev, Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding, Beilstein Journal of Organic Chemistry, 2019, doi:10.3762/bjoc.15.163, Ref, Web of Science, IF (2.595 - 2018), Web of Science Quartile: Q2 (2019), SCOPUS, SJR (0.82 - 2018), SCOPUS Quartile: Q2 (2019)
|
2019
|
|
63
|
C. Grauffel, T. Dudev, C. Lim, Why Cellular Di/Triphosphates Preferably Bind Mg2+ and Not Ca2+, J. Chem. Theor. Comput., vol:15, 2019, pages:6992-7003, Ref, IF, IF (5.313 - ), Web of Science Quartile: Q1 (2019), International
|
2019
|
|
64
|
Todor Dudev, Diana Cheshmedzhieva, Lyudmila Doudeva, Competition between abiogenic Al3+ and native Mg2+, Fe2+ and Zn2+ ions in protein binding sites: implications for aluminum toxicity, Journal of Molecular Modeling, том:24, брой:3, 2018, стр.:55-0, doi:https://doi.org/10.1007/s00894-018-3592-0, Ref, Web of Science
|
2018
|
|
65
|
T. Dudev, K. Mazmanian, C. Lim, Competition between Li+ and Na+ in sodium transporters and receptors: Which Na+-binding sites are “therapeutic” Li+ targets, Chem. Sci., том:9, 2018, стр.:4093-4103, Ref, IF, IF (9.063 - 2018), в сътрудничество с чуждестранни учени
|
2018
|
|
66
|
Silvia Angelova, Valia Nikolova, Todor Dudev, Divalent metal ions binding to lactose: a DFT computational study, Bulgarian Chemical Communications, брой:50, 2018, стр.:126-130, Ref, IF, IF (0.238 - 2018)
|
2018
|
|
67
|
T. Dudev, S. Ilieva, L. Doudeva, How an electric field can modulate the metal ion selectivity of protein binding sites: insights from DFT/PCM calculations, Phys. Chem. Chem. Phys., том:20, 2018, стр.:24633-24640, doi: DOI: 10.1039/c8cp04050h , Ref, Web of Science
|
2018
|
|
68
|
K. Mazmanian, T. Dudev, C. Lim, How first shell – second shell interactions and metal substitution modulate protein function, Inorg. Chem., том:57, 2018, стр.:14052-14061, Ref, IF, IF (4.7 - 2018), в сътрудничество с чуждестранни учени
|
2018
|
|
69
|
Dudev, Todor, Grauffel, Cedric, Hsu, Shang-Te Danny, T. Dudev, How Native and Non-Native Cations Bind and Modulate the Properties of GTP/ATP, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol:14, issue:6, 2018, pages:3311-3320, ISSN (print):1549-9618, ISSN (online):1549-9626, doi:10.1021/acs.jctc.8b00259
|
2018
|
|
70
|
T. Dudev, C. Grauffel, C. Lim, How Pb2+ Binds and Modulates Properties of Ca2+-Signaling Proteins, Inorg. Chem., том:57, 2018, стр.:14798-14809, Ref, IF, IF (4.7 - 2018), в сътрудничество с чуждестранни учени
|
2018
|
|
71
|
T. Dudev, C. Graffel, C. Lim, How Pb2+ Binds and Modulates Properties of Ca2+-Signaling Proteins”, , Inorg. Chem., vol:57, 2018, pages:14798-14809, Ref, IF, IF (4.85 - 2018), Web of Science Quartile: Q1 (2018), International
|
2018
|
|
72
|
Diana Cheshmedzhieva, Nikolay Toshev, Mariana Gerova, Ognyan Petrov, Todor Dudev, Hydroxamic acid derivatives as histone deacetylase inhibitors: a DFT study of their tautomerism and metal affinities/selectivities, J Mol Model , том:24, 2018, стр.:114-0, doi:https://doi.org/10.1007/s00894-018-3651-6, Ref, Web of Science, PhD
|
2018
|
|
73
|
N. Kircheva, T. Dudev, Mechanism of therapeutic action of abiogenic Li+ and Ga3+ ions: Insights from theoretical studies, Bulg. Chem. Commun., том:50, 2018, стр.:55-62, PhD
|
2018
|
|
74
|
D. Cheshmedzhieva, N. Toshev, M. Georva, O. Petrov, T. Dudev, Sulfur and selenium derivatives of suberoyl anilide hydroxamic acid (SAHA) as a plausible HDAC inhibitors: a DFT study of their tautomerism and metal affinity/selectivity, Bulg. Chem. Commun., том:50, 2018, стр.:228-236, PhD
|
2018
|
|
75
|
Angelova, Silvia, Nikolova, Valya, Pereva, Stiliyana, Spassov, Tony, T. Dudev, alpha-Cyclodextrin: How Effectively Can Its Hydrophobic Cavity Be Hydrated?, JOURNAL OF PHYSICAL CHEMISTRY B, vol:121, issue:39, 2017, pages:9260-9267, ISSN (print):1520-6106, doi:10.1021/acs.jpcb.7b04501
|
2017
|
|
76
|
Silvia Angelova, Valia Nikolova, Todor Dudev, Determinants of the host-guest interactions between α-, β- and γ-cyclodextrins and group IA, IIA and IIIA metal cations: a DFT/PCM study., Phys Chem Chem Phys., том:19(23), 2017, стр.:15129-15136, doi:10.1039/c7cp01253e., Ref, IF, IF (4.123 - 2016)
|
2017
|
|
77
|
Silvia Angelova, Valia Nikolova, Nevse Molla, Todor Dudev, Factors Governing the Host−Guest Interactions between IIA/IIB
2 Group Metal Cations and α‑Cyclodextrin: A DFT/CDM Study
, Inorg. Chem, том:56 (4), 2017, стр.:1981-1987, doi:10.1021/acs.inorgchem.6b02564, Ref, IF, IF (4.857 - 2016)
|
2017
|
|
78
|
Angelova, Silvia, Nikolova, Valia, Molla, Nevse, T. Dudev, Factors Governing the Host-Guest Interactions between IIA/IIB Group Metal Cations and alpha-Cyclodextrin: A DFT/CDM Study, INORGANIC CHEMISTRY, vol:56, issue:4, 2017, pages:1981-1987, ISSN (print):0020-1669, ISSN (online):1520-510X, doi:10.1021/acs.inorgchem.6b02564
|
2017
|
|
79
|
T. Dudev, C. Grauffel, C. Lim, How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent, Sci. Rep., том:7, 2017, стр.:42377-0, Ref, IF, IF (4.259 - 2016), в сътрудничество с чуждестранни учени
|
2017
|
|
80
|
T. Dudev, L. Doudeva, How the extra methylene group affects the ligation properties of Glu vs. Asp and Gln vs. Asn amino acids: a DFT/PCM study, J. Mol. Modeling, том:23, 2017, стр.:45-0, Ref, IF, IF (1.425 - 2016)
|
2017
|
|
81
|
Valia Nikolova, Silvia Angelova, Todor Dudev, IIa/IIB group metal cations hosted by beta-cyclodedtrin: a DFT study, Bulgarian Chemical Communications, том:49, 2017, стр.:189-194, Ref, IF, IF (0.238 - 2018)
|
2017
|
|
82
|
Nikolova, V., Angelova, S., T. Dudev, IIA/IIB group metal cations hosted by beta-cyclodextrin: a DFT study, BULGARIAN CHEMICAL COMMUNICATIONS, vol:49, issue:D, 2017, pages:189-194, ISSN (print):0324-1130
|
2017
|
|
83
|
V. Nikolova, S. Angelova, T. Dudev, IIA/IIB group metal cations hosted by β-cyclodextrin: a DFT study”, Bulg. Chem. Commun., том:49, 2017, стр.:189-194, Ref, IF, IF (0.4 - )
|
2017
|
|
84
|
S. Angelova, V. Nikolova, S. Pereva, T. Spassov, T. Dudev, α-Cyclodextrin: How Effectively Can Its Hydrophobic Cavity Be Hydrated?”, J. Phys. Chem., том:B121, 2017, стр.:9260-9267, Ref, IF, IF (3.177 - 2016)
|
2017
|
|
85
|
T. Dudev, V. Nikolova, Determinants of Fe2+ over M2+ (M = Mg, Mn, Zn) Selectivity in Non-Heme Iron Proteins, Inorg. Chem., том:55, 2016, стр.:12644-12650, Ref, Web of Science
|
2016
|
|
86
|
T. Dudev, K. Mazmanian, C. Lim, Factors controlling the selectivity for Na+ over Mg2+ in sodium transporters and enzymes, Phys. Chem. Chem. Phys., том:18, 2016, стр.:16986-16997, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2016
|
|
87
|
V. Nikolova, S. Angelova, N. Markova, T. Dudev, Gallium as a Therapeutic Agent: A Thermodynamic Evaluation of the Competition between Ga3+ and Fe3+ Ions in Metalloproteins, J. Phys. Chem. B, том:120, 2016, стр.:2241-2248, Ref, Web of Science, MSc
|
2016
|
|
88
|
T. Dudev, C. Grauffel, C. Lim, Influence of the Selectivity Filter Properties on Proton Selectivity in the Influenza A M2 Channel, J. Am. Chem. Soc., том:138, 2016, стр.:13038-13047, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2016
|
|
89
|
K. Mazmanian, K. Sargsyan, C. Grauffel, T. Dudev, C. Lim, Preferred Hydrogen-Bonding Partners of Cysteine: Implications for Regulating Cys Functions, J. Phys. Chem. B, том:120, 2016, стр.:10288-10296, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2016
|
|
90
|
S. Pereva, T. Himitliiska, T. Spassov, S.D. Stoyanov, L.N. Arnaudov, T. Dudev, Cyclodextrin-Based Solid-Gas Clathrates, J. Agric. Food Chem., том:63, 2015, стр.:6603-6613, Ref, IF, IF (3.154 - 2016), PhD
|
2015
|
|
91
|
T. Dudev, C. Lim, Ion Selectivity in the Selectivity Filters of Acid-Sensing Ion Channels, Sci. Rep., брой:5, 2015, стр.:7864-0, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2015
|
|
92
|
T. Dudev, M. Devereux, M. Meuwly, C. Lim, J.-P. Piquemal, N. Gresh, Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li+-Cs+) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations, J. Comp. Chem., том:36, 2015, стр.:285-302, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2015
|
|
93
|
T. Dudev, B. Musset, D. Morgan, V.V. Cherny, S.M.E. Smith, K. Mazmanian, T.E. DeCoursey, C. Lim, Selectivity Mechanism of the Voltage-gated Proton Channel, HV1, Sci. Rep., брой:5, 2015, стр.:10320-0, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2015
|
|
94
|
T. Dudev, C. Lim, Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins, Chem. Rev. , том:114, 2014, стр.:538-566, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2014
|
|
95
|
T. Dudev, C. Lim, Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins, Chem. Rev., том:114, 2014, стр.:538-556, Ref, IF, IF (52.613 - 2018), в сътрудничество с чуждестранни учени
|
2014
|
|
96
|
T. Dudev, C. Lim, Evolution of Eukaryotic Ion Channels: Principles Underlying the Conversion of Ca2+-Selective to Na+-Selective Channels, J. Am. Chem. Soc., том:136, 2014, стр.:3553-3559, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2014
|
|
97
|
T. Dudev, C. Lim, Ion Selectivity Strategies of Sodium Channel Selectivity Filters, Acc. Chem. Res., брой:47, 2014, стр.:3580-3587, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2014
|
|
98
|
T. Dudev, Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations, Comp. Chem. , брой:2, 2014, стр.:19-21, Ref
|
2014
|
|
99
|
C.S. Babu, Y.-M. Lee, T. Dudev, C. Lim, Modeling Zn2+ Release from Metallothionein, J. Phys. Chem. A, брой:118, 2014, стр.:9244-9252, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2014
|
|
100
|
D. Meffre, J. Grenier, S. Bernard, F. Courtin, T. Dudev, G.G. Shackleford, M. Jafarian-Tehrani, C. Massaad, Wnt and Lithium: a Common Destiny in the Therapy of Nervous System Pathologies?, Cell. Mol. Life Sci., брой:71, 2014, стр.:1123-1148, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2014
|
|
101
|
C.S. Babu, T. Dudev, C. Lim, Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs. Ca2+: Application to Ribonuclease H, J. Am. Chem. Soc., том:135, 2013, стр.:6541-6548, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2013
|
|
102
|
Dudev, Todor, T. Dudev, Importance of Metal Hydration on the Selectivity of Mg2+ versus Ca2+ in Magnesium Ion Channels, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol:135, issue:45, 2013, pages:17200-17208, ISSN (print):0002-7863, doi:10.1021/ja4087769
|
2013
|
|
103
|
T. Dudev, C. Lim, Importance of Metal Hydration on the Selectivity of Mg2+ vs. Ca2+ in Magnesium Ion Channels, J. Am. Chem. Soc., том:135, 2013, стр.:17200-17208, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
2013
|
|
104
|
T. Dudev, C. Lim, Competition among Ca2+, Mg2+, and Na+ for Model Ion Channel Selectivity Filters: Determinants of Ion Selectivity, J. Phys. Chem. B, том:116, 2012, стр.:10703-10714, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
|
2012
|
|
105
|
T. Dudev, C. Lim, The Effect of Metal Binding on the Characteristic Infrared Band Intensities of Ligands of Biological Interest, J. Mol. Struct., том:1009, 2012, стр.:83-88, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
2012
|
|
106
|
T. Dudev, C. Lim, Why Voltage-Gated Ca2+ and Bacterial Na+ Channels with the Same EEEE Motif in Their Selectivity Filters Confer Opposite Metal Selectivity, Phys. Chem. Chem. Phys., том:14, 2012, стр.:12451-12456, Ref, IF, IF (3.906 - 2017), в сътрудничество с чуждестранни учени
|
2012
|
|
107
|
T. Dudev, C. Lim, Competition Between Li+ and Mg2+ in Metalloproteins. Implications for Lithium Therapy, J. Am. Chem. Soc., том:133, 2011, стр.:9506-9515, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2011
|
|
108
|
T. Dudev, C. Lim, Factors Controlling the Mechanism of NAD+ NonRedox Reactions, J. Am. Chem. Soc., том:132, 2010, стр.:16533-16543, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2010
|
|
109
|
T. Dudev, C. Lim, Factors Governing the Na+ vs K+ Selectivity in Sodium Ion Channels, J. Am. Chem. Soc., том:132, 2010, стр.:2321-2332, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2010
|
|
110
|
T. Dudev, C. Lim, Determinants of K+ vs. Na+ Selectivity in Potassium Channels, J. Am. Chem. Soc., том:131, 2009, стр.:8092-8101, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2009
|
|
111
|
T. Dudev, C. Lim, Metal Binding Affinity and Selectivity of Nonstandard Natural Amino Acid Residues from DFT/CDM Calculations, J. Phys. Chem. B, брой:113, 2009, стр.:11754-11764, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
|
2009
|
|
112
|
T. Dudev, C. Lim, Metal Binding and Selectivity in Metalloproteins: Insights from Computational Studies, Annual Review of Biophysics, том:37, 2008, стр.:97-116, Ref, IF, IF (12.25 - 2013), в сътрудничество с чуждестранни учени
|
2008
|
|
113
|
T.-Y. Yang, T. Dudev, C. Lim, Mononuclear versus Binuclear Metal Binding Sites: Metal Binding Affinity and Selectivity from PDB Survey and DFT/CDM Calculations, J. Am. Chem. Soc., том:130, 2008, стр.:3844-3852, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2008
|
|
114
|
T. Dudev, C. Lim, All-Electron Calculations of the Nucleation Structures in Metal-Induced Zinc-Finger Folding: Role of the Peptide Backbone, J. Am. Chem. Soc., том:129, 2007, стр.:12497-12504, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2007
|
|
115
|
T. Dudev, C. Lim, Effect of Carboxylate-Binding Mode on Metal Binding/Selectivity and Function in Proteins, Acc. Chem. Res., том:40, 2007, стр.:85-93, Ref, IF, IF (20.955 - ), в сътрудничество с чуждестранни учени
|
2007
|
|
116
|
T. Dudev, C. Lim, A DFT/CDM Study of Metal-Carboxylate Interactions in Metalloproteins: Factors Governing the Maximum Number of Metal-bound Carboxylates, J. Am. Chem. Soc. , том:128, 2006, стр.:1553-1561, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2006
|
|
117
|
T. Dudev, C. Lim, Competition between Protein Ligands and Cytoplasmic Inorganic Anions for the Metal Cation: A DFT/CDM Study, J. Am. Chem. Soc., том:128, 2006, стр.:10541-10548, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2006
|
|
118
|
Dudev, M, Wang, J, Dudev, T, T. Dudev, Factors governing the metal coordination number in metal complexes from Cambridge structural database analyses, JOURNAL OF PHYSICAL CHEMISTRY B, vol:110, issue:4, 2006, pages:1889-1895, ISSN (print):1520-6106, doi:10.1021/jp054975n
|
2006
|
|
119
|
M. Dudev, J. Wang, T. Dudev, C. Lim, Factors Governing the Metal Coordination Number in Metal Complexes from Cambridge Structural Database Analysis, J. Phys. Chem. B, том:110, 2006, стр.:1889-1895, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
|
2006
|
|
120
|
T. Dudev, L.-Y. Chang, C. Lim, Factors Governing the Substitution of La3+ for Ca2+ and Mg2+ in Metalloproteins: A DFT/CDM Study, J. Am. Chem. Soc. , том:127, 2005, стр.:4091-4103, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
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2005
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121
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Dudev, T, T. Dudev, Monodentate versus bidentate carboxylate binding in magnesium and calcium proteins: What are the basic principles?, JOURNAL OF PHYSICAL CHEMISTRY B, vol:108, issue:14, 2004, pages:4546-4557, ISSN (print):1520-6106, ISSN (online):1520-5207, doi:10.1021/jp0310347
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2004
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122
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T. Dudev, C. Lim, Monodentate vs. Bidentate Carboxylate Binding in Magnesium and Calcium Proteins: What are the Basic principles, J. Phys. Chem. B, том:108, 2004, стр.:4546-4557, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
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2004
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123
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T. Dudev, C. Lim, Oxyanion Selectivity in Sulfate and Molybdate Transport Proteins: An Ab Initio/CDM Study, J. Am. Chem. Soc., том:126, 2004, стр.:10296-10305, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
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2004
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124
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C.S. Babu, T. Dudev, R. Casareno, J.A. Cowan, C. Lim, A Combined Experimental and Theoretical Study of Divalent Metal Ion Selectivity and Function in Proteins: Application to E. coli Ribonuclease H1, J. Am. Chem. Soc. , том:125, 2003, стр.:9318-9328, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
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2003
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125
|
T. Dudev, Y-I. Lin, M. Dudev, C. Lim, First-Second Shell Interactions in Metal Binding Sites in Proteins: A PDB Survey and DFT/CDM Calculations, J. Am. Chem. Soc. , том:125, 2003, стр.:3168-3180, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
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2003
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126
|
T. Dudev, C. Lim, Metal Binding and Selectivity in Zinc Proteins, J. Chin. Chem. Soc., том:50, 2003, стр.:1093-1102, Ref, IF, IF (0.862 - 2017), в сътрудничество с чуждестранни учени
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2003
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127
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T. Dudev, C. Lim, Principles Governing Mg, Ca and Zn Selectivity in Proteins, Chem. Rev., том:103, 2003, стр.:773-787, Ref, IF, IF (52.613 - 2018), в сътрудничество с чуждестранни учени
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2003
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128
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Dudev, T, T. Dudev, Principles governing Mg, Ca, and Zn binding and selectivity in proteins, CHEMICAL REVIEWS, vol:103, issue:3, 2003, pages:773-787, ISSN (print):0009-2665, ISSN (online):1520-6890, doi:10.1021/cr020467n
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2003
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129
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T. Dudev, C. Lim, Factors Governing the Protonation State of Cysteines in Proteins: An Ab Initio/CDM Study, J.Am. Chem. Soc., том:124, 2002, стр.:6759-6766, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
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2002
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130
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S. Ilieva, B. Galabov, T. Dudev, T. Gounev, J.R. Dudrig, Effective bond charges from infrared intensities in CH4, SiH4, GeH4 and SnH4, J. Mol. Struct., том:565-566, 2001, стр.:395-398, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
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2001
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131
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T. Dudev, C. Lim, Metal selectivity in metalloproteins: Zn2+ vs. Mg2+, J. Phys. Chem. B, том:105, 2001, стр.:4446-4452, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
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2001
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132
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T. Dudev, C. Lim, Modeling Zn2+-Cysteinate Complexes in Proteins, J. Phys. Chem. B, том:105, 2001, стр.:10709-10714, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
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2001
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133
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R. Escribano, J.J. Sloan, N. Siddique, N. Sze, T. Dudev, Raman Spectroscopy of Carbon-Containing Particles, Vibr. Spectroscopy, том:26, 2001, стр.:179-186, Ref, IF, IF (1.363 - 2017), в сътрудничество с чуждестранни учени
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2001
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134
|
B. Galabov, T. Dudev, S. Ilieva, The Creation of Intensity Theory in Vibrational Spectroscopy: Key Role of Ab Initio Quantum Mechanical Calculations, Annu. Univ. Sofia - Fac. Chemie, том:91, 2001, стр.:171-183
|
2001
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135
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G.H. Hakimelahi, A.A. Moosavi-Mohavedi, S-C. Tsay, F-Y. Tsay, J.D. Wright, T. Dudev, S. Hakimelahi, C. Lim, Design, synthesis and structure-activity relationship of novel carbapenem antibiotics with high stability to Xanthomonas Maltophilia Oxyiminocephalosporinase Type II, J. Med. Chem., брой:43, 2000, стр.:3632-3640, Ref, IF, IF (6.259 - 2016), в сътрудничество с чуждестранни учени
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2000
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136
|
Hakimelahi, GH, Moosavi-Movahedi, AA, Tsay, SC, Tsai, FY, Wright, JD, Dudev, T, Hakimelahi, S, T. Dudev, Design, synthesis, and SAR of novel carbapenem antibiotics with high stability to Xanthomonas maltophilia oxyiminocephalosporinase type II, JOURNAL OF MEDICINAL CHEMISTRY, vol:43, issue:20, 2000, pages:3632-3640, ISSN (print):0022-2623, ISSN (online):1520-4804, doi:10.1021/jm000213z
|
2000
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137
|
T. Dudev, C. Lim, Metal binding in proteins: the effect of the dielectric medium, J. Phys. Chem. B, том:104, 2000, стр.:3692-3694, Ref, IF, IF (3.146 - 2017), в сътрудничество с чуждестранни учени
|
2000
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138
|
Dudev, T, T. Dudev, Tetrahedral vs octahedral zinc complexes with ligands of biological interest: A DFT/CDM study, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol:122, issue:45, 2000, pages:11146-11153, ISSN (print):0002-7863, doi:10.1021/ja0010296
|
2000
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|
139
|
T. Dudev, C. Lim, Tetrahedral vs. octahedral Zn2+ complexes with ligands of biological interest: a DFT/CDM study, J.Am.Chem. Soc., том:122, 2000, стр.:11146-11153, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
2000
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140
|
T. Dudev, J.A. Cowan, C. Lim, Competitive binding in magnesium coordination chemistry: water versus ligands of biological interest, J. Am. Chem. Soc. , том:121, 1999, стр.:7665-7673, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
1999
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141
|
T. Dudev, C. Lim, Incremental binding free energies in Mg2+ complexes: a DFT study, J. Phys. Chem. A, том:103, 1999, стр.:8093-8100, Ref, IF, IF (2.836 - 2017), в сътрудничество с чуждестранни учени
|
1999
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142
|
B. Galabov, T. Dudev, S. Ilieva, J.R. Durig, Creation of intensity theory in vibrational spectroscopy: key role of ab initio quantum chemical calculations, Int. J. Quantum Chem., том:70, 1998, стр.:331-339, Ref, IF, IF (2.92 - 2016), в сътрудничество с чуждестранни учени
|
1998
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143
|
Galabov, B, Dudev, T, Ilieva, S, Durig, JR, Creation of intensity theory in vibrational spectroscopy: Key role of ab initio quantum mechanical calculations, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol:70, issue:2, 1998, pages:331-339, ISSN (print):0020-7608
|
1998
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144
|
W.B. Fischer, I. Unverricht, T. Dudev, R. Salzer, Negative ions causing structural changes of the acetylcholine cation – FTIR spectroscopy and theoretical calculations, Asian J. Spectroscopy, том:2, 1998, стр.:125-130, Ref, IF, IF (0.28 - 2008)
|
1998
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145
|
T. Dudev, C. Lim, Ring strain energies from ab initio calculations, J. Am. Chem. Soc., том:120, 1998, стр.:4450-4458, Ref, IF, IF (14.357 - 2017), в сътрудничество с чуждестранни учени
|
1998
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146
|
V. Koleva, T. Dudev, I. Wawer, 1H and 13C NMR study and AM1 calculations of some azobenzenes and N-benzylideneanilines: effect of substituents on the molecular planarity, J. Mol. Struct., том:412, 1997, стр.:153-159, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1997
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147
|
T. Dudev, B. Galabov, Ab initio calculations of Raman intensity parameters and geometry of polyynes and polyynenitriles, Spectrochim. Acta , том:53A, 1997, стр.:2053-2059, Ref, IF, IF (2.098 - 2011)
|
1997
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148
|
B. Galabov, T. Dudev, S. Ilieva, Effective bond charges from infrared and Raman intensities, J. Mol. Struct., том:408-409, 1997, стр.:57-62, Ref, IF, IF (1.602 - 2014)
|
1997
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149
|
Koleva, V, Dudev, T, T. Dudev, H-1 and C-13 NMR study and AM1 calculations of some azobenzenes and N-benzylideneanilines: effect of substituents on the molecular planarity, JOURNAL OF MOLECULAR STRUCTURE, vol:412, issue:1-2, 1997, pages:153-159, ISSN (print):0022-2860
|
1997
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150
|
B. Galabov, P. Bobadova-Parvanova, T. Dudev, Interpretation of carbonyl stretching band intensities in the infrared spectra: an ab initio MO study, J. Mol. Struct., том:406, 1997, стр.:119-125, Ref, IF, IF (1.602 - 2014)
|
1997
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151
|
T. Dudev, P. Bobadova-Parvanova, D. Pencheva, B. Galabov, Molecular geometry, vibrational frequencies, infrared intensities and CºN effective bond charges in a series of simple nitrile compounds: HF/6-31+G(d,p) MO study, J. Mol. Struct., том:436-437, 1997, стр.:427-433, Ref, IF, IF (1.602 - 2014)
|
1997
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152
|
B. Galabov, S. Ilieva, B. Hadjieva, T. Dudev, N-H stretching frequencies and conformation of substituted ureas: an ab initio MO study, J. Mol. Struct., том:407, 1997, стр.:47-51, Ref, IF, IF (1.602 - 2014)
|
1997
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153
|
Galabov, B, Ilieva, S, Hadjieva, B, Dudev, T, N-H stretching frequencies and the conformation of substituted ureas: An ab initio MO study, JOURNAL OF MOLECULAR STRUCTURE, vol:407, issue:1, 1997, pages:47-51, ISSN (print):0022-2860
|
1997
|
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154
|
T. Dudev, Predicted Raman intensities of CH3CCH, CH3CCD, CD3CCH, CD3CCD and (CH3CCH)-C-12-C-13-C-13, JOURNAL OF RAMAN SPECTROSCOPY, vol:28, issue:4, 1997, pages:199-204, ISSN (print):0377-0486
|
1997
|
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155
|
T. Dudev, Predicted Raman intensities of CH3CCH, CH3CCD, CD3CCH, CD3CCD and 12CH313C13CH, J. Raman Spectrosc., том:28, 1997, стр.:199-204, Ref, IF, IF (3.137 - 2010)
|
1997
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156
|
S. Ilieva, M. Krusteva, T. Dudev, B. Galabov, T. Gounev, J.R. Dudrig, Effective bond charges from infrared intensities: ab initio calculations, J. Mol. Struct., том:377, 1996, стр.:75-79, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1996
|
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157
|
T. Dudev, B. Galabov, Interpretation of Raman intensities: effective induced bond charges from atomic polarizability tensors, Specrochim. Acta , том:52A, 1996, стр.:527-538, Ref, IF, IF (2.098 - 2011)
|
1996
|
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158
|
B. Galabov, T. Dudev, S. Ilieva, Effective bond charges from experimental IR intensities, Spectrochim. Acta, том:51A, 1995, стр.:739-754, Ref, IF, IF (2.098 - 2011)
|
1995
|
|
159
|
S. Metsov, T. Dudev, V. Koleva, Infrared and NMR study of some 2-styrylindolium dyes, J. Mol. Struct., том:350, 1995, стр.:241-246, Ref, IF, IF (1.602 - 2014)
|
1995
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160
|
B. Galabov, S. Ilieva, T. Dudev, H.V. Phan, J.R. Dudrig, Interpretation and prediction of vibrational absorption intensities: methylethyl ether and diethyl ether, Spectrochim. Acta, том:49A, 1993, стр.:2093-2103, Ref, IF, IF (2.098 - 2011), в сътрудничество с чуждестранни учени
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1993
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161
|
B. Galabov, T. Dudev, S. Ilieva, Interpretation of vibrational absorption intensities: effective bond charges from rotation-free atomic polar tensors, Spectrochim. Acta, том:49A, 1993, стр.:373-385, Ref, IF, IF (2.098 - 2011)
|
1993
|
|
162
|
T. Dudev, B. Galabov, Relationship between atomic polarizability tensors and valence optical theories of Raman intensities, J. Raman Spectrosc., том:24, 1993, стр.:877-882, Ref, IF, IF (3.137 - 2010)
|
1993
|
|
163
|
T. Dudev, B. Galabov, Rotational contributions to polarizability derivatives from Raman spectra, J. Raman Spectrosc., том:24, 1993, стр.:113-117, Ref, IF, IF (3.137 - 2010)
|
1993
|
|
164
|
R. Ionov, T. Dudev, Raman and infrared study of amorphous SeTe/CdSe superlattices, Appl Phys. A, том:55, 1992, стр.:203-206, Ref, IF, IF (1.694 - 2013)
|
1992
|
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165
|
T. Dudev, B. Galabov, Relationship between infrared intensity theories: electro-optical parameters and bond polar parameters, Spectrochim. Acta, том:48A, 1992, стр.:1153-1163, Ref, IF, IF (2.098 - 2011)
|
1992
|
|
166
|
G. Georgieva, T. Dudev, B. Galabov, J.R. Durig, Vibrational intensity analysis of 1,2-dichloroethane and 1-chloropropane, Vibr. Spectrosc., том:3, 1992, стр.:9-21, Ref, IF, IF (1.363 - 2017), в сътрудничество с чуждестранни учени, PhD
|
1992
|
|
167
|
A. Angelova, J. Petrov, T. Dudev, B. Galabov, Infrared spectra of Langmuir-Blodgett multilayers of docosylamomium phosphate, Coll. Surf., том:60, 1991, стр.:351-368, Ref, IF, IF (2.829 - 2017)
|
1991
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|
168
|
ANGELOVA, A, PETROV, JG, DUDEV, T, T. Dudev, INFRARED-SPECTRA OF LANGMUIR-BLODGETT MULTILAYERS OF DOCOSYLAMMONIUM PHOSPHATE, COLLOIDS AND SURFACES, vol:60, 1991, pages:351-368, ISSN (print):0166-6622
|
1991
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|
169
|
T. Kamisuki, T. Dudev, C. Hirose, Photoionization of diphenylhexatriene and diphenylbutadiene ion radicals in various polar solvents by using time-resolved resonance CARS”, J. Phys. Chem., брой:95, 1991, стр.:5845-5849, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
1991
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|
170
|
KAMISUKI, T, DUDEV, T, T. Dudev, PHOTOIONIZATION OF DIPHENYLHEXATRIENE AND DIPHENYLBUTADIENE ION RADICALS IN VARIOUS POLAR-SOLVENTS BY USING TIME-RESOLVED RESONANCE CARS, JOURNAL OF PHYSICAL CHEMISTRY, vol:95, issue:15, 1991, pages:5845-5849, ISSN (print):0022-3654
|
1991
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|
171
|
T. Dudev, T. Kamisuki, N. Akamatsu, C. Hirose, Transient resonance coherent anti-Stokes Raman scattering spectra of ion radicals of all-trans-1,4-diphenyl-1,3-butadiene, J. Phys. Chem., том:95, 1991, стр.:4999-5002, Ref, Web of Science, в сътрудничество с чуждестранни учени
|
1991
|
|
172
|
S. Ilieva, T. Dudev, B. Galabov, Relationship between atomic polar tensors and bond polar parameters formulations of infrared intensities, Croat. Chem. Acta, том:63, 1990, стр.:143-154, Ref, IF, IF (0.705 - 2017)
|
1990
|
|
173
|
B. Galabov, T. Dudev, J.R. Durig, Bond properties and molecular conformation from vibrational intensity analysis, Croat. Chem. Acta, том:61, 1988, стр.:569-587, Ref, IF, IF (0.705 - 2017), в сътрудничество с чуждестранни учени
|
1988
|
|
174
|
B. Galabov, T. Dudev, J.R. Durig, W.J. Orville-Thomas, Computations in vibrational intensity analysis, J. Mol. Struct., том:173, 1988, стр.:111-0, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1988
|
|
175
|
GALABOV, B, DUDEV, T, DURIG, JR, T. Dudev, COMPUTATIONS IN VIBRATIONAL INTENSITY SPECTROSCOPY, JOURNAL OF MOLECULAR STRUCTURE, vol:173, 1988, pages:111-128, ISSN (print):0022-2860
|
1988
|
|
176
|
T. Dudev, B. Galabov, W.J. Orville-Thomas, Interpretation of infrared intensities of some simple hydrides, J. Mol. Struct., том:157, 1987, стр.:289-294, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1987
|
|
177
|
B. Galabov, T. Dudev, W.J. Orville-Thomas, Interpretation and prediction of vibrational intensities in infrared spectra: fluorinated methanes, J. Mol. Struct., том:145, 1986, стр.:1-13, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1986
|
|
178
|
D. Galabova, P. Velcheva, T. Dudev, Kinetics of catalytic action and thermodenaturation of a-amylase from bacillus licheniformis MB80, Compt. Rend. Bulg. Acad. Sci., том:39, 1986, стр.:97-100
|
1986
|
|
179
|
B. Galabov, T. Dudev, B. Nikolova, W.J. Orville-Thomas, Predicted infrared intensities of diacetylene and 1,3-pentadiyne, J. Mol. Spectrosc., том:120, 1986, стр.:276-283, Ref, IF, IF (1.482 - 2014), в сътрудничество с чуждестранни учени
|
1986
|
|
180
|
B. Galabov, T. Dudev, C. Lozanova, W.J. Orville-Thomas, Infrared intensities: an MO study of the transferability of bond polar parameters, J. Mol. Spectrosc., том:129, 1985, стр.:27-33, Ref, IF, IF (1.602 - 2014), в сътрудничество с чуждестранни учени
|
1985
|
| Статия в поредица |
|
|
Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor, Theoretical Insight into the Phosphate-Targeted Silver's Antibacterial Action: Differentiation between Gram (+) and Gram (-) Bacteria, INORGANIC CHEMISTRY, issue:61, 2022, pages:10089-10100, ISSN (print):0020-1669, ISSN (online):1520-510X, doi:10.1021/acs.inorgchem.2c01085, Ref, IF, IF (5.436 - 2021), Web of Science Quartile: Q1 (2022), SCOPUS, SJR ( - 2021), SCOPUS Quartile: Q1 (2022)
|
2022
|
| Статия в сборник (на конференция и др.) |
|
|
T. Dudev, GALABOV, B, DUDEV, T, RELATIONSHIP BETWEEN INFRARED INTENSITY THEORIES - ELECTROOPTICAL PARAMETERS AND BOND POLAR PARAMETERS, 7TH INTERNATIONAL CONFERENCE ON FOURIER TRANSFORM SPECTROSCOPY, vol:1145, 1989, pages:548-550, ISBN:0-8194-0181-1
|
1989
|
| Участие в конференция |
|
1
|
Секционен доклад, Тодор Дудев, Factors governing the metal ion selectivity in ion channels: Insights from DFT/CDM calculations
|
2018
|
|
2
|
Секционен доклад, Тодор Дудев, Competition between abiogenic Al3+ and native Mg2+, Fe2+ and Zn2+ ions in protein binding sites: Implications for aluminium toxicity
|
2018
|
|
3
|
Секционен доклад, Тодор Дудев, a-Cyclodextrin: How effectively can its hydrophobic cavity be hydrated
|
2017
|
|
4
|
Секционен доклад, Тодор Дудев, Determinants of Fe2+ over M2+ (M = Mg, Mn, Zn) selectivity in non-heme iron proteins
|
2017
|
|
5
|
Секционен доклад, Тодор Дудев, Factors governing the competition between biogenic metal cofactors and abiogenic metal ions with therapeutic effect: Insights from DFT/CDM calculations
|
2016
|
|
6
|
Секционен доклад, Тодор Дудев, Computational modeling of biological systems of interest to pharmacology and medicine
|
2016
|
|
7
|
Секционен доклад, Тодор Дудев, Фактори, управляващи процесите на метално свързване и селективност в йонни канали (Могат ли химични подходи да решат проблеми от интерес за биологията?)
|
2015
|
|
8
|
Секционен доклад, Тодор Дудев, Lessons taught by Nature: How to convert Ca2+-selective to Na+-selective metal sensor?
|
2014
|
|
9
|
Секционен доклад, Тодор Дудев, The role of metal hydration in determining the metal selectivity in ion channels
|
2013
|
| Участие в редколегия |
|
1
|
Тодор Дудев, Member of the Editorial Board of the journal “Computational Chemistry”, Участие в редколегия
|
2011
|
|
2
|
Тодор Дудев, Member of the Editorial Board of the journal “World Journal of Methodology”, Участие в редколегия
|
2011
|
|
3
|
Тодор Дудев, Member of the Editorial Advisory Board of the “Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications”, IGI Global, 2010, Участие в редколегия
|
2010
|
|