Ligne de temps
Olivier Sperandio
Chef(fe) de Groupe
08 mai 2025
publication
InDeepNet: a web platform for predicting functional binding sites in proteins using InDeep.
Lire plus12 juil. 2024
event
3rd Drug Discovery & Screening Symposium – “Innovative Therapeutics: Small Molecules and Biologics in Modern Medicine” – an ATC-DDS initiative
Lire plus20 avr. 2024
publication
A comprehensive dataset of protein-protein interactions and ligand binding pockets for advancing drug discovery
Lire plus09 déc. 2022
event
Excellence in Molecular Design – A joint French Society for Medicinal Chemistry, Evotec & Institut Pasteur Symposium
Lire plus11 sept. 2022
project
Energir: Comprendre les mécanismes moléculaires d’acquisition du fer chez les bactéries à Gram-négatif, par une approche intégrative
Lire plus04 avr. 2022
07 févr. 2022
publication
InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions
Lire plus14 avr. 2021
09 avr. 2021
publication
The iPPI-DB initiative: a community-centered database of protein–protein interaction modulators
Lire plus04 févr. 2021
22 avr. 2020
publication
Fr-PPIChem: An academic compound library dedicated to protein-protein interactions
Lire plus17 juil. 2019
31 juil. 2018
21 mars 2018
27 sept. 2017
14 oct. 2016
01 juin 2016
30 mai 2016
01 avr. 2016
publication
Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors
Lire plus24 nov. 2015
publication
Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis
Lire plus03 oct. 2015
publication
Stabilization of protein-protein interaction complexes through small molecules
Lire plus01 oct. 2015
11 mai 2015
16 avr. 2015
publication
FAF-Drugs3: a web server for compound property calculation and chemical library design
Lire plus08 avr. 2015
08 avr. 2015
05 mars 2015
publication
In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances
Lire plus17 oct. 2014
publication
Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?
Lire plus02 juin 2014
publication
Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
Lire plus28 mai 2014
publication
Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches
Lire plus08 mai 2014
publication
Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737
Lire plus04 avr. 2014
publication
Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis
Lire plus25 janv. 2014
13 nov. 2013
publication
Rational design of small molecules targeting the C2 domain of coagulation factor VIII
Lire plus30 août 2013
publication
Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group
Lire plus03 juil. 2013
publication
One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
Lire plus20 juin 2013
publication
Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction
Lire plus14 juin 2013
publication
Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding
Lire plus17 mai 2013
publication
iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions
Lire plus01 janv. 2013
publication
1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome
Lire plus13 juil. 2012
publication
Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo
Lire plus01 janv. 2012
01 janv. 2012
02 juin 2011
publication
The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections
Lire plus27 août 2010
publication
New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold
Lire plus03 août 2010
publication
Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane
Lire plus04 juin 2010
publication
Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
Lire plus18 mars 2010
publication
How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis
Lire plus05 mars 2010
publication
Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods
Lire plus18 janv. 2010
publication
In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors
Lire plus05 déc. 2009
11 août 2009
publication
Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity
Lire plus08 mai 2009
21 oct. 2008
publication
MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space
Lire plus24 sept. 2008
publication
FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects
Lire plus01 avr. 2008
publication
In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics
Lire plus10 mars 2008
publication
Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments
Lire plus01 août 2007
23 juil. 2007
publication
Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V
Lire plus04 mai 2007
01 oct. 2006
publication
Receptor-based computational screening of compound databases: the main docking-scoring engines
Lire plus01 mars 2002
publication