Maria A. Miteva

21 papers Journal 20Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations.
J. Chem. Inf. Model.
Dániel Tóth, Balint Dudas, Arnaud B. Nicot, Maria A. Miteva, Erika Balog
2022 J jnl
Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.
PLoS Comput. Biol.
Elodie Goldwaser, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Bruno O. Villoutreix, Christian Jelsch, Arnaud B. Nicot, Marie-Anne Loriot, Maria A. Miteva
2020 — conf
InterCriteria Analysis Approach for Decision-Making in Virtual Screening: Comparative Study of Various Scoring Functions.
BioInfoMed
Dessislava Jereva, Maria Angelova, Ivanka Tsakovska, Petko Alov, Ilza Pajeva, Maria A. Miteva, Tania Pencheva
2017 J jnl
AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.
Nucleic Acids Res.
Céline M. Labbé, Tania Pencheva, Dessislava Jereva, Dimitri Desvillechabrol, Jérôme Bécot, Bruno O. Villoutreix, Ilza Pajeva, Maria A. Miteva
2017 J jnl
FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery.
Bioinform.
David Lagorce, Lina Bouslama, Jérôme Bécot, Maria A. Miteva, Bruno O. Villoutreix
2016 J jnl
iPPI-DB: an online database of modulators of protein-protein interactions.
Nucleic Acids Res.
Céline M. Labbé, Mélaine A. Kuenemann, Barbara Zarzycka, Gert Vriend, Gerry A. F. Nicolaes, David Lagorce, Maria A. Miteva, Bruno O. Villoutreix, Olivier Sperandio
2015 J jnl
FAF-Drugs3: a web server for compound property calculation and chemical library design.
Nucleic Acids Res.
David Lagorce, Olivier Sperandio, Jonathan B. Baell, Maria A. Miteva, Bruno O. Villoutreix
2015 J jnl
Integrated structure- and ligand-based
Bioinform.
Virginie Y. Martiny, Pablo Carbonell, Florent Chevillard, Gautier Moroy, Arnaud B. Nicot, Philippe Vayer, Bruno O. Villoutreix, Maria A. Miteva
2015 J jnl
MTiOpenScreen: a web server for structure-based virtual screening.
Nucleic Acids Res.
Céline M. Labbé, Julien Rey, David Lagorce, Marek Vavrusa, Jérôme Bécot, Olivier Sperandio, Bruno O. Villoutreix, Pierre Tufféry, Maria A. Miteva
2013 J jnl
Research and applications: A rational free energy-based approach to understanding and targeting disease-causing missense mutations.
J. Am. Medical Informatics Assoc.
Zhe Zhang, Shawn Witham, Marharita Petukh, Gautier Moroy, Maria A. Miteva, Yoshihiko Ikeguchi, Emil Alexov
2012 J jnl
Analyzing Effects of Naturally Occurring Missense Mutations.
Comput. Math. Methods Medicine
Zhe Zhang, Maria A. Miteva, Lin Wang, Emil Alexov
2011 J jnl
The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.
Bioinform.
David Lagorce, Julien Maupetit, Jonathan B. Baell, Olivier Sperandio, Pierre Tufféry, Maria A. Miteva, Hervé Galons, Bruno O. Villoutreix
2010 J jnl
Frog2: Efficient 3D conformation ensemble generator for small compounds.
Nucleic Acids Res.
Maria A. Miteva, Frédéric Guyon, Pierre Tufféry
2008 J jnl
AMMOS: Automated Molecular Mechanics Optimization tool for
BMC Bioinform.
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno O. Villoutreix, Maria A. Miteva
2008 J jnl
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
BMC Bioinform.
David Lagorce, Olivier Sperandio, Hervé Galons, Maria A. Miteva, Bruno O. Villoutreix
2008 J jnl
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.
BMC Bioinform.
Nicolas Sauton, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva
2008 J jnl
Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors.
J. Chem. Inf. Model.
Matthieu Montès, Emmanuelle Braud, Maria A. Miteva, Mary-Lorène Goddard, Odile Mondésert, Stéphanie Kolb, Marie-Priscille Brun, Bernard Ducommun, Christiane Garbay, Bruno O. Villoutreix
2007 J jnl
Frog: a FRee Online druG 3D conformation generator.
Nucleic Acids Res.
T. Bohme Leite, D. Gomes, Maria A. Miteva, Jacques Chomilier, Bruno O. Villoutreix, Pierre Tufféry
2007 J jnl
MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping.
J. Chem. Inf. Model.
Olivier Sperandio, Olivier Andrieu, Maria A. Miteva, Minh-Quang Vo, Marc Souaille, François Delfaud, Bruno O. Villoutreix
2006 J jnl
FAF-Drugs: free ADME/tox filtering of compound collections.
Nucleic Acids Res.
Maria A. Miteva, Stephanie Violas, Matthieu Montès, David Gomez, Pierre Tufféry, Bruno O. Villoutreix
2005 J jnl
PCE: web tools to compute protein continuum electrostatics.
Nucleic Acids Res.
Maria A. Miteva, Pierre Tufféry, Bruno O. Villoutreix