Maria A. Miteva

Paris, 75006, France

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 63 publications

Comparing Empirical and Physics-Based Models of Intermolecular Dispersion and Repulsion Energies.

Comparing Empirical and Physics-Based Models of Intermolecular Dispersion and Repulsion Energies.

Journal: Journal of chemical theory and computation

Published: May 07, 2026

Rational design and synthesis of a heterocycle scaffold for DNMT3A inhibition.

Rational design and synthesis of a heterocycle scaffold for DNMT3A inhibition.

Journal: Bioorganic chemistry

Published: April 02, 2026

Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations.

Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations.

Journal: Journal of chemical information and modeling

Published: September 30, 2025

Mapping the inhibition landscape of P-glycoprotein via conformational ensemble docking.

Mapping the inhibition landscape of P-glycoprotein via conformational ensemble docking.

Journal: Scientific reports

Published: September 22, 2025

ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches.

ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: October 30, 2024

Strategies for in Silico Drug Discovery to Modulate Macromolecular Interactions Altered by Mutations.

Strategies for in Silico Drug Discovery to Modulate Macromolecular Interactions Altered by Mutations.

Journal: Frontiers in bioscience (Landmark edition)

Published: August 29, 2024

Recent Applications of Artificial Intelligence in Discovery of New Antibacterial Agents.

Recent Applications of Artificial Intelligence in Discovery of New Antibacterial Agents.

Journal: Advances and applications in bioinformatics and chemistry : AABC

Published: June 27, 2024

Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations.

Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations.

Journal: Computational and structural biotechnology journal

Published: May 02, 2024

Role of Conformational Dynamics of Sulfotransferases SULT1A1 and SULT1A3 in Substrate Specificity.

Role of Conformational Dynamics of Sulfotransferases SULT1A1 and SULT1A3 in Substrate Specificity.

Journal: International journal of molecular sciences

Published: September 27, 2023

Computational and artificial intelligence-based approaches for drug metabolism and transport prediction.

Computational and artificial intelligence-based approaches for drug metabolism and transport prediction.

Journal: Trends in pharmacological sciences

Published: August 02, 2023

Insights into the molecular basis and mechanism of heme-triggered TLR4 signalling: The role of heme-binding motifs in TLR4 and MD2.

Insights into the molecular basis and mechanism of heme-triggered TLR4 signalling: The role of heme-binding motifs in TLR4 and MD2.

Journal: Immunology

Published: May 16, 2023

Ruthenium-Catalyzed Cycloaddition for Introducing Chemical Diversity in Second-Generation β-Lactamase Inhibitors.

Ruthenium-Catalyzed Cycloaddition for Introducing Chemical Diversity in Second-Generation β-Lactamase Inhibitors.

Journal: ChemMedChem

Published: February 10, 2023

Showing 1-12 of 63

Last Updated: 09/26/2026