Maria A. Miteva

According to our database, Maria A. Miteva authored at least 21 papers between 2005 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

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., 2025

2022

Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.

Elodie Goldwaser, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Bruno O. Villoutreix, Christian Jelsch, Arnaud B. Nicot, Marie-Anne Loriot, Maria A. Miteva

PLoS Comput. Biol., 2022

2020

InterCriteria Analysis Approach for Decision-Making in Virtual Screening: Comparative Study of Various Scoring Functions.

Dessislava Jereva, Maria Angelova, Ivanka Tsakovska, Petko Alov, Ilza Pajeva, Maria A. Miteva, Tania Pencheva

Proceedings of the Contemporary Methods in Bioinformatics and Biomedicine and Their Applications, 2020

2017

AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.

Céline M. Labbé, Tania Pencheva, Dessislava Jereva, Dimitri Desvillechabrol, Jérôme Bécot, Bruno O. Villoutreix, Ilza Pajeva, Maria A. Miteva

Nucleic Acids Res., 2017

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery.

David Lagorce, Lina Bouslama, Jérôme Bécot, Maria A. Miteva, Bruno O. Villoutreix

Bioinform., 2017

2016

iPPI-DB: an online database of modulators of protein-protein interactions.

Céline M. Labbé, Mélaine A. Kuenemann, Barbara Zarzycka, Gert Vriend, Gerry A. F. Nicolaes, David Lagorce, Maria A. Miteva, Bruno O. Villoutreix, Olivier Sperandio

Nucleic Acids Res., 2016

2015

FAF-Drugs3: a web server for compound property calculation and chemical library design.

David Lagorce, Olivier Sperandio, Jonathan B. Baell, Maria A. Miteva, Bruno O. Villoutreix

Nucleic Acids Res., 2015

MTiOpenScreen: a web server for structure-based virtual screening.

Céline M. Labbé, Julien Rey, David Lagorce, Marek Vavrusa, Jérôme Bécot, Olivier Sperandio, Bruno O. Villoutreix, Pierre Tufféry, Maria A. Miteva

Nucleic Acids Res., 2015

Integrated structure- and ligand-based <i>in silico</i> approach to predict inhibition of cytochrome P450 2D6.

Virginie Y. Martiny, Pablo Carbonell, Florent Chevillard, Gautier Moroy, Arnaud B. Nicot, Philippe Vayer, Bruno O. Villoutreix, Maria A. Miteva

Bioinform., 2015

2013

Research and applications: A rational free energy-based approach to understanding and targeting disease-causing missense mutations.

Zhe Zhang, Shawn Witham, Marharita Petukh, Gautier Moroy, Maria A. Miteva, Yoshihiko Ikeguchi, Emil Alexov

J. Am. Medical Informatics Assoc., 2013

2012

Analyzing Effects of Naturally Occurring Missense Mutations.

Zhe Zhang, Maria A. Miteva, Lin Wang, Emil Alexov

Comput. Math. Methods Medicine, 2012

2011

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.

David Lagorce, Julien Maupetit, Jonathan B. Baell, Olivier Sperandio, Pierre Tufféry, Maria A. Miteva, Hervé Galons, Bruno O. Villoutreix

Bioinform., 2011

2010

Frog2: Efficient 3D conformation ensemble generator for small compounds.

Maria A. Miteva, Frédéric Guyon, Pierre Tufféry

Nucleic Acids Res., 2010

2008

Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors.

Matthieu Montès, Emmanuelle Braud, Maria A. Miteva, Mary-Lorène Goddard, Odile Mondésert, Stéphanie Kolb, Marie-Priscille Brun, Bernard Ducommun, Christiane Garbay, Bruno O. Villoutreix

J. Chem. Inf. Model., 2008

MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.

Nicolas Sauton, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva

BMC Bioinform., 2008

AMMOS: Automated Molecular Mechanics Optimization tool for <i>in silico </i>Screening.

Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno O. Villoutreix, Maria A. Miteva

BMC Bioinform., 2008

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects.

David Lagorce, Olivier Sperandio, Hervé Galons, Maria A. Miteva, Bruno O. Villoutreix

BMC Bioinform., 2008

2007

Frog: a FRee Online druG 3D conformation generator.

T. Bohme Leite, D. Gomes, Maria A. Miteva, Jacques Chomilier, Bruno O. Villoutreix, Pierre Tufféry

Nucleic Acids Res., 2007

MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping.

Olivier Sperandio, Olivier Andrieu, Maria A. Miteva, Minh-Quang Vo, Marc Souaille, François Delfaud, Bruno O. Villoutreix

J. Chem. Inf. Model., 2007

2006

FAF-Drugs: free ADME/tox filtering of compound collections.

Maria A. Miteva, Stephanie Violas, Matthieu Montès, David Gomez, Pierre Tufféry, Bruno O. Villoutreix

Nucleic Acids Res., 2006

2005

PCE: web tools to compute protein continuum electrostatics.

Maria A. Miteva, Pierre Tufféry, Bruno O. Villoutreix

Nucleic Acids Res., 2005