A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: From biostructural pathology to specie. - Bruno O. Villoutreix; Olle Teleman; Björn Dahlbäck (J. Comput. Aided Mol. Des., 1997)

Screening the molecular surface of human anticoagulant protein C: A search for interaction sites. - Bruno O. Villoutreix; David G. Covell; Anna M. Blom; Anders Wallqvist; Ute Friedrich; Björn Dahlbäck (J. Comput. Aided Mol. Des., 2001)

RPBS: a web resource for structural bioinformatics. - C. Alland; François Moreews; D. Boens; Mathilde Carpentier; S. Chiusa; Mathieu Lonquety; N. Renault; Y. Wong; Hubert Cantalloube; Jacques Chomilier; Joëlle Hochez; Joël Pothier; et al. (Nucleic Acids Res., 2005)

PCE: web tools to compute protein continuum electrostatics. - Maria A. Miteva; Pierre Tufféry; Bruno O. Villoutreix (Nucleic Acids Res., 2005)

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)

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)

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)

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)

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening. - Tania Pencheva; David Lagorce; Ilza Pajeva; Bruno O. Villoutreix; Maria A. Miteva (BMC Bioinform., 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)

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)

Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods. - Christelle Reynès; Hélène Host; Anne-Claude Camproux; Guillaume Laconde; Florence Leroux; Anne Mazars; Benoit Deprez; Robin Fahraeus; Bruno O. Villoutreix; Olivier Sperandio (PLoS Comput. Biol., 2010)

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)

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions? - Mélaine A. Kuenemann; Laura M. L. Bourbon; Céline M. Labbé; Bruno O. Villoutreix; Olivier Sperandio (J. Chem. Inf. Model., 2014)

Integrated structure- and ligand-based in silico 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)

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions. - Mélaine A. Kuenemann; Laura M. L. Bourbon; Céline M. Labbé; Bruno O. Villoutreix; Olivier Sperandio (BMC Bioinform., 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)

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)

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)

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)

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)

FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases. - Ludovic Chaput; Valentin Guillaume; Natesh Singh; Benoit Deprez; Bruno O. Villoutreix (Bioinform., 2020)

Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces. - Natesh Singh; Ludovic Chaput; Bruno O. Villoutreix (J. Chem. Inf. Model., 2020)

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. - Natesh Singh; Ludovic Chaput; Bruno O. Villoutreix (Briefings Bioinform., 2021)

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)