Ligne de temps
Arnaud Blondel
Chef(fe) de Groupe
05 avr. 2024
publication
Insights from structure-activity relationships and the binding mode of peptidic α-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Lire plus01 mai 2022
publication
A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors.
Lire plus09 mars 2020
event
Cancelled – Séminaire: Bridging chemistry and biology in drug discovery: Filling the gap with artificial intelligence.
Lire plus27 févr. 2018
project
Discovery of allosteric modulators specifically targeting α5-containing nAChRs. (ANR-Nicofive)
Lire plus16 oct. 2015
16 juil. 2015
07 juil. 2015
02 juil. 2015
13 mai 2015
publication
The catalytic domains of Clostridium sordellii lethal toxin and related large clostridial glucosylating toxins specifically recognize the negatively charged phospholipids phosphatidylserine and phosphatidic acid
Lire plus11 mai 2015
21 mars 2015
publication
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis
Lire plus26 déc. 2014
publication
An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps
Lire plus25 oct. 2014
publication
Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins
Lire plus15 janv. 2014
publication
Functional motions modulating VanA ligand binding unraveled by self-organizing maps
Lire plus04 juin 2013
publication
Identification of cinnamic acid derivatives as novel antagonists of the prokaryotic proton-gated ion channel GLIC
Lire plus16 avr. 2013
publication
Combined approaches for drug design points the way to novel proline racemase inhibitor candidates to fight Chagas’ disease
Lire plus21 mars 2011
publication
Mechanism of reactant and product dissociation from the anthrax edema factor: a locally enhanced sampling and steered molecular dynamics study
Lire plus01 oct. 2010
publication
Activation of the edema factor of Bacillus anthracis by calmodulin: evidence of an interplay between the EF-calmodulin interaction and calcium binding
Lire plus07 juin 2010
publication
Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor
Lire plus01 déc. 2009
publication
ATP conformations and ion binding modes in the active site of anthrax edema factor: a computational analysis
Lire plus18 févr. 2009
publication
Dynamics and energetics: a consensus analysis of the impact of calcium on EF-CaM protein complex
Lire plus01 juin 2008
publication
The conformational plasticity of calmodulin upon calcium complexation gives a model of its interaction with the oedema factor of Bacillus anthracis
Lire plus01 mai 2004
publication
Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal “Alchemical” path, and practical solutions
Lire plus01 janv. 2004
publication