Publications by authors named "Maria Miteva"

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Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations.
Daniel Toth, Balint Dudas, Arnaud B Nicot, Maria A Miteva, Erika Balog

J Chem Inf Model· October 2025

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Strategies for Drug Discovery to Modulate Macromolecular Interactions Altered by Mutations.
Pitambar Poudel, Maria A Miteva, Emil Alexov

Front Biosci (Landmark Ed)· April 2025

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Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations.
Ahmad Elbahnsi, Balint Dudas, Salvatore Cisternino, Xavier Declèves, Maria A Miteva

Comput Struct Biotechnol J· December 2024

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Recent Applications of Artificial Intelligence in Discovery of New Antibacterial Agents.
Youcef Bagdad, Maria A Miteva

Adv Appl Bioinform Chem· December 2024

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ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches.
Ahmad Elbahnsi, Balint Dudas, Isabelle Callebaut, Alexandre Hinzpeter, Maria A Miteva

Pharmaceuticals (Basel)· November 2024

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Machine Learning and Deep Learning Models for Predicting Noncovalent Inhibitors of AmpC β-Lactamase.
Youcef Bagdad, Marion Sisquellas, Michel Arthur, Maria A Miteva

ACS Omega· October 2024

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Insights into the molecular basis and mechanism of heme-triggered TLR4 signalling: The role of heme-binding motifs in TLR4 and MD2.
Marie-T Hopp, Janine Holze, Felicitas Lauber, Laura Holtkamp, Dhruv C Rathod, Maria A Miteva

Immunology· February 2024

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Computational and artificial intelligence-based approaches for drug metabolism and transport prediction.
Balint Dudas, Maria A Miteva

Trends Pharmacol Sci· January 2024

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Role of Conformational Dynamics of Sulfotransferases SULT1A1 and SULT1A3 in Substrate Specificity.
Daniel Toth, Balint Dudas, Maria A Miteva, Erika Balog

Int J Mol Sci· November 2023

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Ruthenium-Catalyzed Cycloaddition for Introducing Chemical Diversity in Second-Generation β-Lactamase Inhibitors.
Flavie Bouchet, Jean-Philippe Barnier, Ines Sayah, Youcef Bagdad, Maria A Miteva

ChemMedChem· May 2023

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Complement C3a treatment accelerates recovery after stroke via modulation of astrocyte reactivity and cortical connectivity.
Anna Stokowska, Markus Aswendt, Daniel Zucha, Stephanie Lohmann, Frederique Wieters, Maria Miteva

J Clin Invest· May 2023

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Serum levels of leptin and adiponectin in patients with autoimmune Hashimoto's thyroiditis.
Desislav G Tomov, Boryana A Levterova, Dimitar M Troev, Maria Z Miteva, Valentina N Mihaylova

Folia Med (Plovdiv)· April 2023

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Pharmacogenetics of human sulfotransferases and impact of amino acid exchange on Phase II drug metabolism.
Adriana Isvoran, Yunhui Peng, Silvana Ceauranu, Leon Schmidt, Arnaud B Nicot, Maria A Miteva

Drug Discov Today· November 2022

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Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition.
Balint Dudas, Youcef Bagdad, Milan Picard, David Perahia, Maria A Miteva

iScience· November 2022

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Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.
Elodie Goldwaser, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Maria A Miteva

PLoS Comput Biol· January 2022

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Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases.
Iglika Lessigiarska, Yunhui Peng, Ivanka Tsakovska, Petko Alov, Nathalie Lagarde, Maria A Miteva

Molecules· October 2021

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Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations.
Balint Dudas, Daniel Toth, David Perahia, Arnaud B Nicot, Erika Balog, Maria A Miteva

Sci Rep· June 2021

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New machine learning and physics-based scoring functions for drug discovery.
Isabella A Guedes, André M S Barreto, Diogo Marinho, Eduardo Krempser, Mélaine A Kuenemann, Maria A Miteva

Sci Rep· February 2021

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Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions.
Nicolas Bosc, Christophe Muller, Laurent Hoffer, David Lagorce, Stéphane Bourg, Maria A Miteva

ACS Chem Biol· June 2020

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Anti-Factor B Antibodies and Acute Postinfectious GN in Children.
Sophie Chauvet, Romain Berthaud, Magali Devriese, Morgane Mignotet, Paula Vieira Martins, Maria A Miteva

J Am Soc Nephrol· April 2020

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Analysis of protein missense alterations by combining sequence- and structure-based methods.
Aram Gyulkhandanyan, Alireza R Rezaie, Lubka Roumenina, Nathalie Lagarde, Veronique Fremeaux-Bacchi, Maria A Miteva

Mol Genet Genomic Med· April 2020

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A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments.
Nathalie Lagarde, Elodie Goldwaser, Tania Pencheva, Dessislava Jereva, Ilza Pajeva, Maria A Miteva

Int J Mol Sci· September 2019

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Comparative structural and evolutionary analyses predict functional sites in the artemisinin resistance malaria protein K13.
Romain Coppée, Daniel C Jeffares, Maria A Miteva, Audrey Sabbagh, Jérôme Clain

Sci Rep· July 2019

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Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors.
Daniela Trisciuzzi, Orazio Nicolotti, Maria A Miteva, Bruno O Villoutreix

Drug Discov Today· February 2019

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Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets.
Nathalie Lagarde, Julien Rey, Aram Gyulkhandanyan, Pierre Tufféry, Maria A Miteva

Oncotarget· August 2018

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