Rognan, D.

sc-PDB: a 3D-database of ligandable binding sites—10 years on

The sc-PDB database (available at http://bioinfo-pharma.

Desaphy, J.

Targeting the cis-dimerization of LINGO-1 with low MW compounds affects its downstream signalling

Background and Purpose The transmembrane protein LINGO-1 is a negative regulator in the nervous system mainly affecting axonal regeneration, neuronal survival, oligodendrocyte …

Cobret, L.

Beware of Machine Learning-Based Scoring Functions—On the Danger of Developing Black Boxes

Training machine learning algorithms with protein–ligand descriptors has recently gained considerable attention to predict binding constants from atomic coordinates.

Gabel, J.

Design of a General-Purpose European Compound Screening Library for EU-OPENSCREEN

Abstract This work describes a collaborative effort to define and apply a protocol for the rational selection of a general-purpose screening library, to be used by the screening …

Horvath, D.

sc-PDB-Frag: A Database of Protein–Ligand Interaction Patterns for Bioisosteric Replacements

Bioisosteric replacement plays an important role in medicinal chemistry by keeping the biological activity of a molecule while changing either its core scaffold or substituents, …

Desaphy, J.

Targeting of Smoothened for therapeutic gain.

The Smoothened (Smo) receptor is a key transducer of the Hedgehog (Hh) signaling pathway, which plays a critical role in tissue maintenance and repair.

Ruat, M.

Synthesis and biological properties of thiazole-analogues of pyochelin, a siderophore of Pseudomonas aeruginosa

Pyochelin is a siderophore common to all strains of Pseudomonas aeruginosa utilized by this Gram-negative bacterium to acquire iron(III).

Noël, S.

TRAF4 Is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration

Tumor necrosis factor (TNF) receptor-associated factor 4 (TRAF4) is frequently overexpressed in carcinomas, suggesting a specific role in cancer.

Rousseau, A.

Structure du récepteur Smoothened

Le récepteur Smoothened (Smo) joue un rôle essentiel dans la transduction de la voie de signalisation Hedgehog (Hh) chez les vertébrés au cours de l’embryogenèse et chez l’adulte.

Ruat, M.