Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding
Pereva, Stiliyana, Nikolova, Valya, Angelova, Silvia, Spassov, Tony, Dudev, Todor
Published in Beilstein journal of organic chemistry (17.07.2019)
Published in Beilstein journal of organic chemistry (17.07.2019)
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Journal Article
Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ Competition
Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor
Published in International journal of molecular sciences (27.03.2023)
Published in International journal of molecular sciences (27.03.2023)
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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
Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Published in Molecules (Basel, Switzerland) (05.02.2023)
Published in Molecules (Basel, Switzerland) (05.02.2023)
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N -Methyl- and N -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest Recognition
Kircheva, Nikoleta, Petkova, Vladislava, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Published in Molecules (Basel, Switzerland) (16.12.2023)
Published in Molecules (Basel, Switzerland) (16.12.2023)
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Complexation of trivalent metal cations (Al, Ga, In, La, Lu) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognition
Koleva, Iskra Z, Dobrev, Stefan, Kircheva, Nikoleta, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Published in Physical chemistry chemical physics : PCCP (09.03.2022)
Published in Physical chemistry chemical physics : PCCP (09.03.2022)
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Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules
Petkova, Vladislava, Anastasova, Denitsa, Dobrev, Stefan, Mutovska, Monika, Kircheva, Nikoleta, Nikolova, Valya, Kolev, Spas D, Stoyanov, Stanimir, Zagranyarski, Yulian, Dudev, Todor, Angelova, Silvia
Published in Molecules (Basel, Switzerland) (04.09.2024)
Published in Molecules (Basel, Switzerland) (04.09.2024)
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Journal Article
Cu + /Ag + Competition in Type I Copper Proteins (T1Cu)
Kircheva, Nikoleta, Angelova, Silvia, Dobrev, Stefan, Petkova, Vladislava, Nikolova, Valya, Dudev, Todor
Published in Biomolecules (Basel, Switzerland) (01.04.2023)
Published in Biomolecules (Basel, Switzerland) (01.04.2023)
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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
Nikolova, Valya K, Kirkova, Cristina V, Angelova, Silvia E, Dudev, Todor M
Published in Beilstein journal of organic chemistry (2019)
Published in Beilstein journal of organic chemistry (2019)
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Journal Article
Density Functional Theory Prediction of Laser Dyes-Cucurbit[7]uril Binding Affinities
Petkova, Vladislava, Dobrev, Stefan, Kircheva, Nikoleta, Nazarova, Dimana, Nedelchev, Lian, Nikolova, Valya, Dudev, Todor, Angelova, Silvia
Published in Molecules (Basel, Switzerland) (16.09.2024)
Published in Molecules (Basel, Switzerland) (16.09.2024)
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Journal Article
Strontium Binding to α-Parvalbumin, a Canonical Calcium-Binding Protein of the “EF-Hand” Family
Vologzhannikova, Alisa A., Shevelyova, Marina P., Kazakov, Alexey S., Sokolov, Andrey S., Borisova, Nadezhda I., Permyakov, Eugene A., Kircheva, Nikoleta, Nikolova, Valya, Dudev, Todor, Permyakov, Sergei E.
Published in Biomolecules (Basel, Switzerland) (05.08.2021)
Published in Biomolecules (Basel, Switzerland) (05.08.2021)
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Journal Article
Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
Galabov, Boris, Ilieva, Sonia, Cheshmedzhieva, Diana, Nikolova, Valya, Popov, Vassil A, Hadjieva, Boriana, Schaefer, Henry F
Published in ACS omega (15.03.2022)
Published in ACS omega (15.03.2022)
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Journal Article
Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD Calculations
Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Published in Inorganic chemistry (07.12.2020)
Published in Inorganic chemistry (07.12.2020)
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Journal Article
α‑Cyclodextrin: How Effectively Can Its Hydrophobic Cavity Be Hydrated?
Angelova, Silvia, Nikolova, Valya, Pereva, Stiliyana, Spassov, Tony, Dudev, Todor
Published in The journal of physical chemistry. B (05.10.2017)
Published in The journal of physical chemistry. B (05.10.2017)
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Journal Article
Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca[sup.2+]/Ln[sup.3+] Competition
Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor
Published in International journal of molecular sciences (01.04.2023)
Published in International journal of molecular sciences (01.04.2023)
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Journal Article
Implementation of Three Gallium-Based Complexes in the “Trojan Horse” Antibacterial Strategy against A. baumannii: A DFT Approach
Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Yocheva, Lyubima, Angelova, Silvia, Dudev, Todor
Published in Inorganic chemistry (19.08.2024)
Published in Inorganic chemistry (19.08.2024)
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