Bruno O. Villoutreix

Orcid: 0000-0002-6456-7730

According to our database1, Bruno O. Villoutreix authored at least 25 papers between 1997 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Bibliography

2022
Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.
PLoS Comput. Biol., 2022

2021
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
Briefings Bioinform., 2021

2020
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
J. Chem. Inf. Model., 2020

FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.
Bioinform., 2020

2017
AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.
Nucleic Acids Res., 2017

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery.
Bioinform., 2017

2016
iPPI-DB: an online database of modulators of protein-protein interactions.
Nucleic Acids Res., 2016

2015
FAF-Drugs3: a web server for compound property calculation and chemical library design.
Nucleic Acids Res., 2015

MTiOpenScreen: a web server for structure-based virtual screening.
Nucleic Acids Res., 2015

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions.
BMC Bioinform., 2015

Integrated structure- and ligand-based <i>in silico</i> approach to predict inhibition of cytochrome P450 2D6.
Bioinform., 2015

2014
Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions?
J. Chem. Inf. Model., 2014

2011
The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.
Bioinform., 2011

2010
Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods.
PLoS Comput. Biol., 2010

2008
Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors.
J. Chem. Inf. Model., 2008

MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.
BMC Bioinform., 2008

AMMOS: Automated Molecular Mechanics Optimization tool for <i>in silico </i>Screening.
BMC Bioinform., 2008

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
BMC Bioinform., 2008

2007
Frog: a FRee Online druG 3D conformation generator.
Nucleic Acids Res., 2007

MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping.
J. Chem. Inf. Model., 2007

2006
FAF-Drugs: free ADME/tox filtering of compound collections.
Nucleic Acids Res., 2006

2005
PCE: web tools to compute protein continuum electrostatics.
Nucleic Acids Res., 2005

RPBS: a web resource for structural bioinformatics.
Nucleic Acids Res., 2005

2001
Screening the molecular surface of human anticoagulant protein C: A search for interaction sites.
J. Comput. Aided Mol. Des., 2001

1997
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., 1997


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