Timeline

Arnaud Blondel
Group Leader
01 May 2022
publication

A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors.

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09 Mar 2020
event

Cancelled – Séminaire: Bridging chemistry and biology in drug discovery: Filling the gap with artificial intelligence.

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27 Feb 2018
project

Discovery of allosteric modulators specifically targeting α5-containing nAChRs. (ANR-Nicofive)

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16 Oct 2015
project

AEGIS (Accelerated Early staGe drug dIScovery)

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16 Jul 2015
team

Group: Dynamics & Drug Design

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07 Jul 2015
project

Bip:Bip

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02 Jul 2015
project

Chagas

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13 May 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

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11 May 2015
team

Structural Bioinformatics

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21 Mar 2015
publication

Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

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26 Dec 2014
publication

An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps

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25 Oct 2014
publication

Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins

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15 Jan 2014
publication

Functional motions modulating VanA ligand binding unraveled by self-organizing maps

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04 Jun 2013
publication

Identification of cinnamic acid derivatives as novel antagonists of the prokaryotic proton-gated ion channel GLIC

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16 Apr 2013
publication

Combined approaches for drug design points the way to novel proline racemase inhibitor candidates to fight Chagas’ disease

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21 Mar 2011
publication

Mechanism of reactant and product dissociation from the anthrax edema factor: a locally enhanced sampling and steered molecular dynamics study

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01 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

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07 Jun 2010
publication

Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor

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01 Dec 2009
publication

ATP conformations and ion binding modes in the active site of anthrax edema factor: a computational analysis

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18 Feb 2009
publication

Dynamics and energetics: a consensus analysis of the impact of calcium on EF-CaM protein complex

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01 Jun 2008
publication

The conformational plasticity of calmodulin upon calcium complexation gives a model of its interaction with the oedema factor of Bacillus anthracis

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01 May 2004
publication

Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal “Alchemical” path, and practical solutions

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01 Jan 2004
publication

Effect of multiple symmetries on the association of R67 DHFR subunits bearing interfacial complementing mutations

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