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ORCIDBruno O. Villoutreix
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2020 – today
- 2022
[j25]Elodie Goldwaser
, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Bruno O. Villoutreix, Christian Jelsch, Arnaud B. Nicot, Marie-Anne Loriot, Maria A. Miteva:
Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9. PLoS Comput. Biol. 18(1) (2022)- 2021
- [j24]Natesh Singh, Ludovic Chaput, Bruno O. Villoutreix:
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. Briefings Bioinform. 22(2): 1790-1818 (2021) - 2020
- [j23]Ludovic Chaput, Valentin Guillaume, Natesh Singh, Benoit Deprez, Bruno O. Villoutreix:
FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases. Bioinform. 36(14): 4225-4226 (2020) - [j22]Natesh Singh, Ludovic Chaput, Bruno O. Villoutreix:
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces. J. Chem. Inf. Model. 60(8): 3910-3934 (2020)
2010 – 2019
- 2017
- [j21]David Lagorce, Lina Bouslama, Jérôme Bécot, Maria A. Miteva, Bruno O. Villoutreix:
FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery. Bioinform. 33(22): 3658-3660 (2017) - [j20]Céline M. Labbé, Tania Pencheva, Dessislava Jereva, Dimitri Desvillechabrol, Jérôme Bécot, Bruno O. Villoutreix, Ilza Pajeva, Maria A. Miteva:
AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics. Nucleic Acids Res. 45(Webserver-Issue): W350-W355 (2017) - 2016
- [j19]Céline M. Labbé, Mélaine A. Kuenemann, Barbara Zarzycka, Gert Vriend, Gerry A. F. Nicolaes, David Lagorce, Maria A. Miteva, Bruno O. Villoutreix, Olivier Sperandio:
iPPI-DB: an online database of modulators of protein-protein interactions. Nucleic Acids Res. 44(Database-Issue): 542-547 (2016) - 2015
- [j18]Virginie Y. Martiny, Pablo Carbonell, Florent Chevillard, Gautier Moroy, Arnaud B. Nicot, Philippe Vayer, Bruno O. Villoutreix, Maria A. Miteva:
Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6. Bioinform. 31(24): 3930-3937 (2015) - [j17]Mélaine A. Kuenemann, Laura M. L. Bourbon, Céline M. Labbé, Bruno O. Villoutreix, Olivier Sperandio:
An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions. BMC Bioinform. 16(S-3): A5 (2015) - [j16]David Lagorce, Olivier Sperandio, Jonathan B. Baell, Maria A. Miteva, Bruno O. Villoutreix:
FAF-Drugs3: a web server for compound property calculation and chemical library design. Nucleic Acids Res. 43(Webserver-Issue): W200-W207 (2015) - [j15]Céline M. Labbé, Julien Rey, David Lagorce, Marek Vavrusa, Jérôme Bécot, Olivier Sperandio, Bruno O. Villoutreix, Pierre Tufféry, Maria A. Miteva:
MTiOpenScreen: a web server for structure-based virtual screening. Nucleic Acids Res. 43(Webserver-Issue): W448-W454 (2015) - 2014
- [j14]Mélaine A. Kuenemann, Laura M. L. Bourbon, Céline M. Labbé, Bruno O. Villoutreix, Olivier Sperandio:
Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions? J. Chem. Inf. Model. 54(11): 3067-3079 (2014) - 2011
- [j13]David Lagorce, Julien Maupetit, Jonathan B. Baell, Olivier Sperandio, Pierre Tufféry, Maria A. Miteva, Hervé Galons, Bruno O. Villoutreix:
The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections. Bioinform. 27(14): 2018-2020 (2011) - 2010
- [j12]Christelle Reynès, Hélène Host, Anne-Claude Camproux, Guillaume Laconde, Florence Leroux, Anne Mazars, Benoit Deprez, Robin Fahraeus, Bruno O. Villoutreix, Olivier Sperandio:
Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods. PLoS Comput. Biol. 6(3) (2010)
2000 – 2009
- 2008
- [j11]David Lagorce, Olivier Sperandio, Hervé Galons, Maria A. Miteva, Bruno O. Villoutreix:
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects. BMC Bioinform. 9 (2008) - [j10]Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno O. Villoutreix, Maria A. Miteva:
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening. BMC Bioinform. 9 (2008) - [j9]Nicolas Sauton, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva:
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening. BMC Bioinform. 9 (2008) - [j8]Matthieu Montès, Emmanuelle Braud, Maria A. Miteva, Mary-Lorène Goddard, Odile Mondésert, Stéphanie Kolb, Marie-Priscille Brun, Bernard Ducommun, Christiane Garbay, Bruno O. Villoutreix:
Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors. J. Chem. Inf. Model. 48(1): 157-165 (2008) - 2007
- [j7]Olivier Sperandio, Olivier Andrieu, Maria A. Miteva, Minh-Quang Vo, Marc Souaille, François Delfaud, Bruno O. Villoutreix:
MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping. J. Chem. Inf. Model. 47(3): 1097-1110 (2007) - [j6]T. Bohme Leite, D. Gomes, Maria A. Miteva, Jacques Chomilier, Bruno O. Villoutreix, Pierre Tufféry:
Frog: a FRee Online druG 3D conformation generator. Nucleic Acids Res. 35(Web-Server-Issue): 568-572 (2007) - 2006
- [j5]Maria A. Miteva, Stephanie Violas, Matthieu Montès, David Gomez, Pierre Tufféry, Bruno O. Villoutreix:
FAF-Drugs: free ADME/tox filtering of compound collections. Nucleic Acids Res. 34(Web-Server-Issue): 738-744 (2006) - 2005
- [j4]C. Alland, F. 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:
RPBS: a web resource for structural bioinformatics. Nucleic Acids Res. 33(Web-Server-Issue): 44-49 (2005) - [j3]Maria A. Miteva, Pierre Tufféry, Bruno O. Villoutreix:
PCE: web tools to compute protein continuum electrostatics. Nucleic Acids Res. 33(Web-Server-Issue): 372-375 (2005) - 2001
- [j2]Bruno O. Villoutreix, David G. Covell, Anna M. Blom, Anders Wallqvist, Ute Friedrich, Björn Dahlbäck:
Screening the molecular surface of human anticoagulant protein C: A search for interaction sites. J. Comput. Aided Mol. Des. 15(1): 13-27 (2001)
1990 – 1999
- 1997
- [j1]Bruno O. Villoutreix, Olle Teleman, Björn Dahlbäck:
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. 11(3): 293-304 (1997)
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