Timeline

Olivier Sperandio
Group Leader
04 Feb 2021
publication

New machine learning and physics-based scoring functions for drug discovery.

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08 Jan 2021
publication

The iPPI-DB initiative: A Community-centered database of Protein-Protein Interaction modulators.

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22 Apr 2020
publication

Fr-PPIChem: An academic compound library dedicated to protein-protein interactions

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17 Jul 2019
project

AntiBronchio

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31 Jul 2018
tool

Chem-REST

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21 Mar 2018
project

TARGETBONE

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27 Sep 2017
publication

Privileged Substructures to Modulate Protein-Protein Interactions

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14 Oct 2016
tool

iPPI-DB Initiative

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01 Jun 2016
project

PPI-Chem

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30 May 2016
team

Chemoinformatics and proteochemometrics

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01 Apr 2016
publication

Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors

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24 Nov 2015
publication

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

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03 Oct 2015
publication

Stabilization of protein-protein interaction complexes through small molecules

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01 Oct 2015
publication

iPPI-DB: an online database of modulators of protein-protein interactions

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11 May 2015
team

Structural Bioinformatics

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16 Apr 2015
publication

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

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08 Apr 2015
publication

MTiOpenScreen: a web server for structure-based virtual screening

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08 Apr 2015
publication

[Chemical libraries dedicated to protein-protein interactions]

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05 Mar 2015
publication

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances

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17 Oct 2014
publication

Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?

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02 Jun 2014
publication

Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

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28 May 2014
publication

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

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08 May 2014
publication

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737

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04 Apr 2014
publication

Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis

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25 Jan 2014
publication

Identification of novel small molecule inhibitors of activated protein C

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13 Nov 2013
publication

Rational design of small molecules targeting the C2 domain of coagulation factor VIII

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30 Aug 2013
publication

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

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03 Jul 2013
publication

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

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20 Jun 2013
publication

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction

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14 Jun 2013
publication

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding

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17 May 2013
publication

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions

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01 Jan 2013
publication

1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome

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13 Jul 2012
publication

Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo

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01 Jan 2012
publication

Editorial: Toward the design of drugs on protein-protein interactions

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01 Jan 2012
publication

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

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02 Jun 2011
publication

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

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27 Aug 2010
publication

New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold

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03 Aug 2010
publication

Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane

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04 Jun 2010
publication

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

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18 Mar 2010
publication

How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis

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05 Mar 2010
publication

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

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18 Jan 2010
publication

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors

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05 Dec 2009
publication

Rationalizing the chemical space of protein-protein interaction inhibitors

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11 Aug 2009
publication

Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity

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08 May 2009
publication

wwLigCSRre: a 3D ligand-based server for hit identification and optimization

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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

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24 Sep 2008
publication

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

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01 Apr 2008
publication

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics

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10 Mar 2008
publication

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

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01 Aug 2007
publication

Free resources to assist structure-based virtual ligand screening experiments

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23 Jul 2007
publication

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

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04 May 2007
publication

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

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01 Oct 2006
publication

Receptor-based computational screening of compound databases: the main docking-scoring engines

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01 Mar 2002
publication

Theoretical study of fast repair of DNA damage by cistanoside C and analogs: mechanism and docking

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