Bruno O. Villoutreix

26 papers Journal 26
YearRankTypeTitle / Venue / Authors
2025 J jnl
The covalent docking software landscape: features and applications in drug design.
Briefings Bioinform.
Natesh Singh, Philippe Vayer, Bruno O. Villoutreix
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
2021 J jnl
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
Briefings Bioinform.
Natesh Singh, Ludovic Chaput, Bruno O. Villoutreix
2020 J jnl
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
J. Chem. Inf. Model.
Natesh Singh, Ludovic Chaput, Bruno O. Villoutreix
2020 J jnl
FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.
Bioinform.
Ludovic Chaput, Valentin Guillaume, Natesh Singh, Benoit Deprez, Bruno O. Villoutreix
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
An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions.
BMC Bioinform.
Mélaine A. Kuenemann, Laura M. L. Bourbon, Céline M. Labbé, 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
2014 J jnl
Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions?
J. Chem. Inf. Model.
Mélaine A. Kuenemann, Laura M. L. Bourbon, Céline M. Labbé, Bruno O. Villoutreix, Olivier Sperandio
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
Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods.
PLoS Comput. Biol.
Christelle Reynès, Hélène Host, Anne-Claude Camproux, Guillaume Laconde, Florence Leroux, Anne Mazars, Benoit Deprez, Robin Fahraeus, Bruno O. Villoutreix, Olivier Sperandio
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
2005 J jnl
RPBS: a web resource for structural bioinformatics.
Nucleic Acids Res.
C. Alland, François Moreews, D. Boens, Mathilde Carpentier, S. Chiusa, Mathieu Lonquety, N. Renault, Y. Wong, Hubert Cantalloube, Jacques Chomilier, Joëlle Hochez, Joël Pothier, Bruno O. Villoutreix, Jean-François Zagury, Pierre Tufféry
2001 J jnl
Screening the molecular surface of human anticoagulant protein C: A search for interaction sites.
J. Comput. Aided Mol. Des.
Bruno O. Villoutreix, David G. Covell, Anna M. Blom, Anders Wallqvist, Ute Friedrich, Björn Dahlbäck
1997 J jnl
A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: From biostructural pathology to specie.
J. Comput. Aided Mol. Des.
Bruno O. Villoutreix, Olle Teleman, Björn Dahlbäck