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The Journal of Physical Chemistry. B|May 9, 2025
The Role of Axial Ligand in Determining the Mg2+/TM2+ (TM = Fe, Mn, Cu, Zn) Selectivity in ChlorophyllNikoleta Kircheva, Silvia Angelova, Valya Nikolova, et al.
Inorganic Chemistry|November 20, 2020
Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD CalculationsNikoleta Kircheva, Stefan Dobrev, Valya Nikolova, et al.
Inorganic Chemistry|June 20, 2022
Theoretical Insight into the Phosphate-Targeted Silver's Antibacterial Action: Differentiation between Gram (+) and Gram (-) BacteriaNikoleta Kircheva, Stefan Dobrev, Valya Nikolova, et al.
The Journal of Physical Chemistry. B|September 9, 2017
α-Cyclodextrin: How Effectively Can Its Hydrophobic Cavity Be Hydrated?Silvia Angelova, Valya Nikolova, Stiliyana Pereva, et al.
Beilstein Journal of Organic Chemistry|August 23, 2019
Water inside β-cyclodextrin cavity: amount, stability and mechanism of bindingStiliyana Pereva, Valya Nikolova, Silvia Angelova, et al.
International Journal of Molecular Sciences|April 13, 2023
Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ CompetitionValya Nikolova, Nikoleta Kircheva, Stefan Dobrev, et al.
Computational Biology and Chemistry|November 14, 2022
Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activityStefan Dobrev, Nikoleta Kircheva, Valya Nikolova, et al.
Physical Chemistry Chemical Physics : PCCP|June 30, 2023
Electrostatic interactions - key determinants of the metal selectivity in La3+ and Ca2+ binding proteinsSilvia Angelova, Nikoleta Kircheva, Valya Nikolova, et al.
Inorganic Chemistry|August 8, 2024
Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy against A. baumannii: A DFT ApproachNikoleta Kircheva, Stefan Dobrev, Valya Nikolova, et al.
Molecules (Basel, Switzerland)|December 23, 2023
N-Methyl- and N-Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest RecognitionNikoleta Kircheva, Vladislava Petkova, Stefan Dobrev, et al.
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