Nikoleta Kircheva

Plovdiv, 4000, Bulgaria

Last Updated: 09/26/2026

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Found 36 publications

Density Functional Theory Investigation of the Binding Affinity of Nitrogen Heterocycles and Drug-Like Molecules to Guanine Tetrads in G-Quadruplex Structures.

Density Functional Theory Investigation of the Binding Affinity of Nitrogen Heterocycles and Drug-Like Molecules to Guanine Tetrads in G-Quadruplex Structures.

Journal: The journal of physical chemistry. B

Published: May 26, 2026

DFT Evaluation of Metal Ion Selectivity in Protein Phosphatase PPM1A: The Effect of Native Metal Type and Multiplicity on the Competition with Other Biogenic Contenders for the Active Site.

DFT Evaluation of Metal Ion Selectivity in Protein Phosphatase PPM1A: The Effect of Native Metal Type and Multiplicity on the Competition with Other Biogenic Contenders for the Active Site.

Journal: Biomolecules

Published: May 05, 2026

A Computational Challenge of Guanine Quadruplex Involvement in Anticancer Antibiotics.

A Computational Challenge of Guanine Quadruplex Involvement in Anticancer Antibiotics.

Journal: International journal of molecular sciences

Published: February 28, 2026

Water Molecule(s) Inside the Selectivity Filter of Aquaporin 1: A DFT Study.

Water Molecule(s) Inside the Selectivity Filter of Aquaporin 1: A DFT Study.

Journal: Molecules (Basel, Switzerland)

Published: December 28, 2025

Theoretical Insight on the Tautomerism and ESIPT Process in Some Hydroxyaryl(hetaryl)idene Azomethine Imines.

Theoretical Insight on the Tautomerism and ESIPT Process in Some Hydroxyaryl(hetaryl)idene Azomethine Imines.

Journal: Molecules (Basel, Switzerland)

Published: November 29, 2025

Structure-dependent thermochromism of PAZO thin films: theory and experiment.

Structure-dependent thermochromism of PAZO thin films: theory and experiment.

Journal: Beilstein journal of nanotechnology

Published: September 21, 2025

The Role of Axial Ligand in Determining the Mg2+/TM2+ (TM = Fe, Mn, Cu, Zn) Selectivity in Chlorophyll.

The Role of Axial Ligand in Determining the Mg2+/TM2+ (TM = Fe, Mn, Cu, Zn) Selectivity in Chlorophyll.

Journal: The journal of physical chemistry. B

Published: May 09, 2025

Thermodynamics of the Ga3+/ Fe3+ Competition in a Model of the Heme B-Containing Bacterial Catalase Active Center.

Thermodynamics of the Ga3+/ Fe3+ Competition in a Model of the Heme B-Containing Bacterial Catalase Active Center.

Journal: Inorganic chemistry

Published: May 07, 2025

Functionalized Silver Nanoparticles as Multifunctional Agents Against Gut Microbiota Imbalance and Inflammation.

Functionalized Silver Nanoparticles as Multifunctional Agents Against Gut Microbiota Imbalance and Inflammation.

Journal: Nanomaterials (Basel, Switzerland)

Published: April 17, 2025

PHLPP2 is a pseudophosphatase that lost activity in the metazoan ancestor.

PHLPP2 is a pseudophosphatase that lost activity in the metazoan ancestor.

Journal: Proceedings of the National Academy of Sciences of the United States of America

Published: April 01, 2025

Silver Nanoparticles with Mebeverine in IBS Treatment: DFT Analysis, Spasmolytic, and Anti-Inflammatory Effects.

Silver Nanoparticles with Mebeverine in IBS Treatment: DFT Analysis, Spasmolytic, and Anti-Inflammatory Effects.

Journal: Pharmaceutics

Published: March 06, 2025

Spasmolytic Activity and Anti-Inflammatory Effect of Novel Mebeverine Derivatives.

Spasmolytic Activity and Anti-Inflammatory Effect of Novel Mebeverine Derivatives.

Journal: Biomedicines

Published: August 31, 2024

Showing 1-12 of 36

Last Updated: 09/26/2026