Bruno O. Villoutreix

发表

MTiOpenScreen: a web server for structure-based virtual screening

Pierre Tufféry, Olivier Sperandio, Céline M. Labbé, 2015, Nucleic Acids Res..

Target‐Based Virtual Screening to Address Protein–Protein Interfaces

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2011 .

Screening the molecular surface of human anticoagulant protein C: A search for interaction sites

Bruno O. Villoutreix, David G. Covell, Anna M. Blom, 2001, J. Comput. Aided Mol. Des..

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6

Florent Chevillard, Philippe Vayer, Pablo Carbonell, 2015, Bioinform..

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

Pierre Tufféry, Olivier Sperandio, David Lagorce, 2011, Bioinform..

AMMOS: A Software Platform to Assist in silico Screening

Tania Pencheva, Bruno O. Villoutreix, Maria A. Miteva, 2009 .

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions

Olivier Sperandio, Céline M. Labbé, Bruno O. Villoutreix, 2015, BMC Bioinformatics.

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

Olivier Sperandio, Gert Vriend, Céline M. Labbé, 2015, Nucleic Acids Res..

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

Pierre Tufféry, Bruno O. Villoutreix, Maria A. Miteva, 2006, Nucleic Acids Res..

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

Tania Pencheva, Céline M. Labbé, Jérôme Bécot, 2017, Nucleic Acids Res..

In Silico ADME/Tox Predictions

Olivier Sperandio, Anne-Claude Camproux, David Lagorce, 2010 .

Chemical Libraries for Virtual Screening

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2011 .

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2008, BMC Bioinformatics.

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

Tania Pencheva, David Lagorce, Bruno O. Villoutreix, 2008, BMC Bioinformatics.

Structure-Based Virtual Screening

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2011 .

Chapter 12 – Application Strategies for the Primary Structure–Activity Relationship Exploration

Bruno O. Villoutreix, Camille Georges Wermuth, Serge Grisoni, 2015 .

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

David Lagorce, Jérôme Bécot, Bruno O. Villoutreix, 2017, Bioinform..

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

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2007, J. Chem. Inf. Model..

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances.

Olivier Sperandio, Céline M. Labbé, David Lagorce, 2015, Progress in biophysics and molecular biology.

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions.

Olivier Sperandio, Céline M. Labbé, Bruno O. Villoutreix, 2013, Drug discovery today.

A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: From biostructural pathology to specie

Bruno O. Villoutreix, Björn Dahlbäck, Olle Teleman, 1997, J. Comput. Aided Mol. Des..

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

Bruno O. Villoutreix, Maria A. Miteva, Matthieu Montes, 2008, J. Chem. Inf. Model..

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2015, Nucleic Acids Res..

RPBS: a web resource for structural bioinformatics

Jacques Chomilier, Pierre Tufféry, Bruno O. Villoutreix, 2005, Nucleic Acids Res..

PCE: web tools to compute protein continuum electrostatics

Pierre Tufféry, Bruno O. Villoutreix, Maria A. Miteva, 2005, Nucleic Acids Res..

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions?

Olivier Sperandio, Céline M. Labbé, Bruno O. Villoutreix, 2014, J. Chem. Inf. Model..

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

David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, 2008, BMC Bioinformatics.

Frog: a FRee Online druG 3D conformation generator

Jacques Chomilier, Pierre Tufféry, Bruno O. Villoutreix, 2007, Nucleic Acids Res..

Strategies in the Search for New Lead Compounds or Original Working Hypotheses

Bruno O. Villoutreix, Camille Georges Wermuth, Anne Olivier, 2015 .

Les chimiothèques ciblant les interactions e

Bruno O. Villoutreix, Xavier Morelli, Philippe Roche, 2015 .

Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods

Olivier Sperandio, Anne-Claude Camproux, Bruno O. Villoutreix, 2010, PLoS Comput. Biol..

Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets

Pierre Tufféry, Julien Rey, Bruno O. Villoutreix, 2018, Oncotarget.

Structural Requirements of Anticoagulant Protein S for Its Binding to the Complement Regulator C4b-binding Protein*

Sara Linse, Bruno O. Villoutreix, B. Dahlbäck, 2002, The Journal of Biological Chemistry.

Tyrosine Kinase Syk Non-Enzymatic Inhibitors and Potential Anti-Allergic Drug-Like Compounds Discovered by Virtual and In Vitro Screening

David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, 2011, PloS one.

Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages

Bruno O. Villoutreix, B. Villoutreix, E. Decroly, 2020, European Journal of Pharmaceutical Sciences.

Combining Ligand- and Structure-Based Methods in Drug Design Projects

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2008 .

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

Dominique Douguet, David Lagorce, Bruno O. Villoutreix, 2017, Scientific Reports.

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

Bruno O. Villoutreix, 2008 .

Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening.

Bruno O. Villoutreix, Maria A. Miteva, B. Villoutreix, 2014, Bioorganic & medicinal chemistry.

How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2010, European Biophysics Journal.

Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces

Bruno O. Villoutreix, Ludovic Chaput, B. Villoutreix, 2020, J. Chem. Inf. Model..

Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction

Stéphanie Pérot, Anne-Claude Camproux, Bruno O. Villoutreix, 2013, PloS one.