PCE: web tools to compute protein continuum electrostatics

Por Miteva, Maria A., Tufféry, Pierre, Villoutreix, Bruno O.
Publicado em 2005

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

Por Sauton, Nicolas, Lagorce, David, Villoutreix, Bruno O, Miteva, Maria A
Publicado em 2008

DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

Por Lagorce, David, Pencheva, Tania, Villoutreix, Bruno O, Miteva, Maria A
Publicado em 2009

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

Por Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.
Publicado no Sci Rep (2017)

A leap into the chemical space of protein-protein interaction inhibitors

Por Villoutreix, Bruno O., Labbé, Céline, Lagorce, David, Laconde, Guillaume, Sperandio, Olivier
Publicado em 2012

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

Por Lagorce, David, Sperandio, Olivier, Galons, Hervé, Miteva, Maria A, Villoutreix, Bruno O
Publicado em 2008

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

Por Pencheva, Tania, Lagorce, David, Pajeva, Ilza, Villoutreix, Bruno O, Miteva, Maria A
Publicado em 2008

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

Por Lagorce, David, Sperandio, Olivier, Baell, Jonathan B., Miteva, Maria A., Villoutreix, Bruno O.
Publicado no Nucleic Acids Res (2015)

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

Por Miteva, Maria A., Violas, Stephanie, Montes, Matthieu, Gomez, David, Tuffery, Pierre, Villoutreix, Bruno O.
Publicado em 2006

Structural stability and heat-induced conformational change of two complement inhibitors: C4b-binding protein and factor H

Por Kask, Lena, Villoutreix, Bruno O., Steen, Mårten, Ramesh, Bala, Dahlbäck, Björn, Blom, Anna M.
Publicado em 2004

Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments

Por Sperandio, Olivier, Miteva, Maria A, Segers, Kenneth, Nicolaes, Gerry A. F, Villoutreix, Bruno O
Publicado em 2008

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

Por Villoutreix, Bruno O., Laconde, Guillaume, Lagorce, David, Martineau, Pierre, Miteva, Maria A., Dariavach, Piona
Publicado em 2011

Mapping of the Factor Xa Binding Site on Factor Va by Site-directed Mutagenesis

Por Steen, Mårten, Tran, Sinh, Autin, Ludovic, Villoutreix, Bruno O., Tholander, Ann-Louise, Dahlbäck, Björn
Publicado em 2008

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

Por Kuenemann, Mélaine A, Bourbon, Laura ML, Labbé, Céline M, Villoutreix, Bruno O, Sperandio, Olivier
Publicado no BMC Bioinformatics (2015)

In Silico Mechanistic Profiling to Probe Small Molecule Binding to Sulfotransferases

Por Martiny, Virginie Y., Carbonell, Pablo, Lagorce, David, Villoutreix, Bruno O., Moroy, Gautier, Miteva, Maria A.
Publicado em 2013

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

Por Pérot, Stéphanie, Regad, Leslie, Reynès, Christelle, Spérandio, Olivier, Miteva, Maria A., Villoutreix, Bruno O., Camproux, Anne-Claude
Publicado em 2013

DNA damage-induced nuclear translocation of Apaf-1 is mediated by nucleoporin Nup107

Por Jagot-Lacoussiere, Léonard, Faye, Audrey, Bruzzoni-Giovanelli, Heriberto, Villoutreix, Bruno O, Rain, Jean-Christophe, Poyet, Jean-Luc
Publicado no Cell Cycle (2015)

Blockade of the malignant phenotype by β-subunit selective noncovalent inhibition of immuno- and constitutive proteasomes

Por Villoutreix, Bruno O., Khatib, Abdel-Majid, Cheng, Yan, Miteva, Maria A., Maréchal, Xavier, Vidal, Joëlle, Reboud-Ravaux, Michèle
Publicado no Oncotarget (2017)

Analysis of Binding Sites on Complement Factor I Using Artificial N-Linked Glycosylation

Por Sanchez-Gallego, Jose I., Groeneveld, Tom W. L., Krentz, Stefanie, Nilsson, Sara C., Villoutreix, Bruno O., Blom, Anna M.
Publicado em 2012

Design of protein–membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V

Por Segers, Kenneth, Sperandio, Olivier, Sack, Markus, Fischer, Rainer, Miteva, Maria A., Rosing, Jan, Nicolaes, Gerry A. F., Villoutreix, Bruno O.
Publicado em 2007