O. Sperandio

发表

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

Olivier Sperandio, Maria A Miteva, Gautier Moroy, 2015, Future medicinal chemistry.

In Silico Approaches Assisting the Rational Design of Low Molecular Weight Protein–Protein Interaction Modulators

Mélaine A. Kuenemann, B. Villoutreix, O. Sperandio, 2015 .

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

Jean-Luc Poyet, Olivier Sperandio, Maria A Miteva, 2014, Molecular informatics.

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

B. Villoutreix, O. Sperandio, D. Lagorce, 2012, Current pharmaceutical design.

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

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2007, Proceedings of the National Academy of Sciences.

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

R. Fåhraeus, K. Bastard, B. Villoutreix, 2008, Current pharmaceutical biotechnology.

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2009, European journal of medicinal chemistry.

InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions

M. Nilges, O. Sperandio, Karen Druart, 2021, bioRxiv.

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

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2010, European Biophysics Journal.

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

Olivier Sperandio, Céline M. Labbé, Mélaine A. Kuenemann, 2016, Scientific Reports.

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

Olivier Sperandio, Bruno O Villoutreix, B. Villoutreix, 2010, Current opinion in structural biology.

THROMBOSIS AND HEMOSTASIS Rational design of small molecules targeting the C 2 domain of coagulation factor VIII

B. Villoutreix, O. Sperandio, J. Voorberg, 2013 .

Rational design of small molecules targeting the C 2 domain of coagulation factor VIII short title : small molecule inhibitors of FVIII

B. Villoutreix, O. Sperandio, J. Voorberg, 2013 .

Identification of novel small molecule inhibitors of activated protein C.

Olivier Sperandio, Bruno O Villoutreix, Roy Schrijver, 2014, Thrombosis research.

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

Olivier Sperandio, Gert Vriend, Céline M. Labbé, 2015, Nucleic Acids Res..

Virtual Ligand Screening for Structure-based Drug Design: Approaches and Progress

B. Villoutreix, O. Sperandio, M. Miteva, 2007 .

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

B. Villoutreix, O. Sperandio, F. Leroux, 2010, Bioorganic & medicinal chemistry letters.

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

B. Villoutreix, O. Sperandio, J. Voorberg, 2013 .

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

B. Villoutreix, O. Sperandio, Gaëlle Deglane, 2013, European journal of medicinal chemistry.

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

Olivier Sperandio, Bruno O Villoutreix, Nicolas Blondiaux, 2014, Journal of medicinal chemistry.

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

L. Buée, Wei-Jen Tang, O. Sperandio, 2014, European journal of medicinal chemistry.

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

J. Doucet, A. Panaye, K. Zakrzewska, 2002, SAR and QSAR in environmental research.

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

Takashi Takahashi, O. Sperandio, S. Al-Salam, 2013, Fundamental & clinical pharmacology.

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

Pierre Tufféry, Olivier Sperandio, David Lagorce, 2011, Bioinform..

MTiOpenScreen: a web server for structure-based virtual screening

Pierre Tufféry, Olivier Sperandio, Céline M. Labbé, 2015, Nucleic Acids Res..

Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods

Olivier Sperandio, Anne-Claude Camproux, Bruno O. Villoutreix, 2010, PLoS Comput. Biol..

Rationalizing the chemical space of protein-protein interaction inhibitors.

Olivier Sperandio, Anne-Claude Camproux, Bruno O Villoutreix, 2010, Drug discovery today.

Investigation of the Fuzzy Complex between RSV Nucleoprotein and Phosphoprotein to Optimize an Inhibition Assay by Fluorescence Polarization

O. Sperandio, P. Durand, C. Sizun, 2022, International journal of molecular sciences.

Characterization of the Interaction Domains between the Phosphoprotein and the Nucleoprotein of Human Metapneumovirus

O. Sperandio, I. Gutsche, B. Bardiaux, 2021, bioRxiv.

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2008, BMC Bioinformatics.

Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction

Stéphanie Pérot, Anne-Claude Camproux, Bruno O. Villoutreix, 2013, PloS one.

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

Stéphanie Pérot, Olivier Sperandio, Maria A Miteva, 2010, Drug discovery today.

Combining Ligand- and Structure-Based Methods in Drug Design Projects

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2008 .

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

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2013, Drug discovery today.

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

Olivier Sperandio, Céline M. Labbé, David Lagorce, 2015, Progress in biophysics and molecular biology.

In Silico ADME/Tox Predictions

Olivier Sperandio, Anne-Claude Camproux, David Lagorce, 2010 .

Phylogenetic analysis of Harmonin homology domains

Olivier Sperandio, Nicolas Wolff, Karen Druart, 2021, BMC Bioinform..

Stabilization of protein-protein interaction complexes through small molecules.

Olivier Sperandio, Maria A Miteva, Gert Vriend, 2016, Drug discovery today.

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2015, Nucleic Acids Res..

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

Olivier Sperandio, Bruno O Villoutreix, Benoit Deprez, 2014, Journal of biomolecular screening.

Free resources to assist structure-based virtual ligand screening experiments.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2007, Current protein & peptide science.

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

Mélaine A. Kuenemann, L. Dardenne, I. Guedes, 2021, Scientific Reports.

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

Olivier Sperandio, Bruno O Villoutreix, Mahesh Kulharia, 2014, Blood.

The iPPI-DB initiative: a community-centered database of protein–protein interaction modulators

M. Nilges, O. Sperandio, Karen Druart, 2021, Bioinform..

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

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2020, ACS chemical biology.

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

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2006, Current protein & peptide science.

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein-Protein Interactions?

Olivier Sperandio, Céline M. Labbé, Bruno O. Villoutreix, 2014, J. Chem. Inf. Model..

Target‐Based Virtual Screening to Address Protein–Protein Interfaces

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2011 .

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

Pierre Tufféry, Olivier Sperandio, Michel Petitjean, 2009, BMC Bioinformatics.

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

Olivier Sperandio, Céline M. Labbé, Bruno O. Villoutreix, 2013, Drug discovery today.

Editorial: [Hot Topics: Toward the Design of Drugs on Protein-Protein Interactions]

Olivier Sperandio, O. Sperandio, 2012 .

MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping

Olivier Sperandio, Bruno O. Villoutreix, Maria A. Miteva, 2007, J. Chem. Inf. Model..

Privileged Substructures to Modulate Protein-Protein Interactions

Olivier Sperandio, Marek Vavrusa, Mélaine A. Kuenemann, 2017, J. Chem. Inf. Model..

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions

Mélaine A. Kuenemann, Laura M. L. Bourbon, B. Villoutreix, 2015, BMC Bioinformatics.

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

Olivier Sperandio, Maria A Miteva, Adriana Isvoran, 2013, BMC Pharmacology and Toxicology.

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

B. Dahlbäck, B. Villoutreix, O. Sperandio, 2010, Biochemical and biophysical research communications.

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

M. Montès, B. Villoutreix, N. Basse, 2013, Current medicinal chemistry.

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

Céline M. Labbé, Mélaine A. Kuenemann, B. Villoutreix, 2013, Drug discovery today.

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

B. Villoutreix, O. Sperandio, 2010, Current opinion in structural biology.

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

Céline M. Labbé, Mélaine A. Kuenemann, B. Villoutreix, 2015, Progress in biophysics and molecular biology.