Publications by authors named "Todor Dudev"

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Assessing the Stability of Polymer Inclusion Membranes: The Case of Aliquat 336-Based Membranes.
Kalina Velikova, Todor Dudev, Tsveta Sarafska, Lea Kukoc-Modun, Spas D Kolev

Membranes (Basel)· October 2025

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Thermodynamics of the Ga/ Fe Competition in a Model of the Heme B-Containing Bacterial Catalase Active Center.
Nikoleta Kircheva, Silvia Angelova, Cristina García-Iriepa, Marco Marazzi, Todor Dudev

Inorg Chem· May 2025

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The Role of Axial Ligand in Determining the Mg/TM (TM = Fe, Mn, Cu, Zn) Selectivity in Chlorophyll.
Nikoleta Kircheva, Silvia Angelova, Valya Nikolova, Todor Dudev

J Phys Chem B· May 2025

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PHLPP2 is a pseudophosphatase that lost activity in the metazoan ancestor.
Tarik Husremović, Vanessa Meier, Lucas Piëch, Katharina M Siess, Sumire Antonioli, Todor Dudev

Proc Natl Acad Sci U S A· April 2025

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Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical study.
Stiliyana Pereva, Stefan Dobrev, Tsveta Sarafska, Valya Nikolova, Silvia Angelova, Todor Dudev

Beilstein J Org Chem· October 2024

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Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules.
Vladislava Petkova, Denitsa Anastasova, Stefan Dobrev, Monika Mutovska, Nikoleta Kircheva, Todor Dudev

Molecules· September 2024

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Density Functional Theory Prediction of Laser Dyes-Cucurbit[7]uril Binding Affinities.
Vladislava Petkova, Stefan Dobrev, Nikoleta Kircheva, Dimana Nazarova, Lian Nedelchev, Todor Dudev

Molecules· September 2024

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Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy against : A DFT Approach.
Nikoleta Kircheva, Stefan Dobrev, Valya Nikolova, Lyubima Yocheva, Silvia Angelova, Todor Dudev

Inorg Chem· August 2024

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Easy and Effective Method for α-CD:NO Host-Guest Complex Formation.
Tsveta P Sarafska, Maya I Spassova, Todor M Dudev, Stiliana M Pereva, Simeon D Stoyanov

Int J Mol Sci· May 2024

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Enhanced Solubility of Ibuprofen by Complexation with β-Cyclodextrin and Citric Acid.
Tsveta Sarafska, Stanislava Ivanova, Todor Dudev, Christo Tzachev, Vesselin Petrov

Molecules· April 2024

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In Silico Analysis of the Ga/Fe Competition for Binding the Iron-Scavenging Siderophores of -Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy.
Nikoleta Kircheva, Stefan Dobrev, Vladislava Petkova, Lyubima Yocheva, Silvia Angelova, Todor Dudev

Biomolecules· April 2024

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Carbonic Anhydrases: Different Active Sites, Same Metal Selectivity Rules.
Nikoleta Kircheva, Silvia Angelova, Todor Dudev

Molecules· April 2024

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-Methyl- and -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest Recognition.
Nikoleta Kircheva, Vladislava Petkova, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev

Molecules· December 2023

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Electrostatic interactions - key determinants of the metal selectivity in La and Ca binding proteins.
Silvia Angelova, Nikoleta Kircheva, Valya Nikolova, Stefan Dobrev, Todor Dudev

Phys Chem Chem Phys· July 2023

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Protein Ca-Sites Prone to Sr Substitution: Implications for Strontium Therapy.
Karine Mazmanian, Cédric Grauffel, Todor Dudev, Carmay Lim

J Phys Chem B· June 2023

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Cu/Ag Competition in Type I Copper Proteins (T1Cu).
Nikoleta Kircheva, Silvia Angelova, Stefan Dobrev, Vladislava Petkova, Valya Nikolova, Todor Dudev

Biomolecules· April 2023

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Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antimuscarinic drugs tropicamide and atropine.
Valya Nikolova, Stefan Dobrev, Nikoleta Kircheva, Victoria Yordanova, Todor Dudev

J Mol Graph Model· March 2023

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Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca/Ln Competition.
Valya Nikolova, Nikoleta Kircheva, Stefan Dobrev, Silvia Angelova, Todor Dudev

Int J Mol Sci· March 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.
Nikoleta Kircheva, Stefan Dobrev, Lyubima Dasheva, Valya Nikolova, Silvia Angelova, Todor Dudev

Molecules· February 2023

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Competition between Ag and Ni in nickel enzymes: Implications for the Ag antibacterial activity.
Stefan Dobrev, Nikoleta Kircheva, Valya Nikolova, Silvia Angelova, Todor Dudev

Comput Biol Chem· December 2022

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How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity.
Todor Dudev

Molecules· December 2022

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Holo-chromodulin: competition between the native Cr3+ and other biogenic cations (Fe3+, Fe2+, Mg2+, and Zn2+) for the binding sites.
Nikoleta Kircheva, Nikolay Toshev, Todor Dudev

Metallomics· October 2022

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Theoretical Insight into the Phosphate-Targeted Silver's Antibacterial Action: Differentiation between Gram (+) and Gram (-) Bacteria.
Nikoleta Kircheva, Stefan Dobrev, Valya Nikolova, Silvia Angelova, Todor Dudev

Inorg Chem· July 2022

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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.
Iskra Z Koleva, Stefan Dobrev, Nikoleta Kircheva, Lyubima Dasheva, Valya Nikolova, Todor Dudev

Phys Chem Chem Phys· March 2022

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A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations.
Todor Dudev, Diana Cheshmedzhieva, Peter Dorkov, Ivayla Pantcheva

Molecules· January 2022

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