Publications in peer-reviewed journals

Schweke H, Xu Q, Tauriello G, Pantolini L, Schwede T, Cazals F, Lhéritier A, Fernandez-Recio J, Rodríguez-Lumbreras LA, Schueler-Furman O, Varga JK, Jiménez-García B, Réau M, Bonvin AMJJ, Savojardo C, Martelli PL, Casadio R, Tubiana J, Wolfson HJ, Oliva R, Barradas-Bautista D, Ricciardelli T, Cavallo L, Venclovas C, Olechnovič K, Guerois R, Andreani J, Martin J, Wang X, Terashi G, Sarkar D, Christoffer C, Aderinwale T, Verburgt J, Kihara D, Marchand A, Correia BE, Duan R, Qiu L, Xu X, Zhang S, Zou X, Dey S, Dunbrack RL, Levy ED, Wodak SJ, Discriminating physiological from non-physiological interfaces in structures of protein complexes: A community-wide study., 2023 June, Proteomics, doi: 10.1002/pmic.202200323 Link
Réau M, Renaud N, Xue LC & Bonvin AMJJ, DeepRank-GNN: A Graph Neural Network Framework to Learn Patterns in Protein-Protein Interfaces, 2022 November, Bioinformatics, doi: 10.1093/bioinformatics/btac759 Link
Renaud N, Geng C, Georgievska S, Ambrosetti F, Ridder L, Marzella DF, Réau M, Bonvin AMJJ & Xue LC, DeepRank: a deep learning framework for data mining 3D protein-protein interfaces, 2021 December, Nat Commun, doi: 10.1038/s41467-021-27396-0 Link
Lensink MF, Brysbaert G, Mauri T, Nadzirin N, Velankar S, Chaleil RAG, Clarence T, Bates PA, Kong R, Liu B, Yang G, Liu M, Shi H, Lu X, Chang S, Roy RS, Quadir F, Liu J, Cheng J, Antoniak A, Czaplewski C, Giełdoń A, Kogut M, Lipska AG, Liwo A, Lubecka EA, Maszota-Zieleniak M, Sieradzan AK, Ślusarz R, Wesołowski PA, Zięba K, Del Carpio Muñoz CA, Ichiishi E, Harmalkar A, Gray JJ, Bonvin AMJJ, Ambrosetti F, Vargas Honorato R, Jandova Z, Jiménez-García B, Koukos PI, Van Keulen S, Van Noort CW, Réau M, Roel-Touris J, Kotelnikov S, Padhorny D, Porter KA, Alekseenko A, Ignatov M, Desta I, Ashizawa R, Sun Z, Ghani U, Hashemi N, Vajda S, Kozakov D, Rosell M, Rodríguez-Lumbreras LA, Fernandez-Recio J, Karczynska A, Grudinin S, Yan Y, Li H, Lin P, Huang SY, Christoffer C, Terashi G, Verburgt J, Sarkar D, Aderinwale T, Wang X, Kihara D, Nakamura T, Hanazono Y, Gowthaman R, Guest JD, Yin R, Taherzadeh G, Pierce BG, Barradas-Bautista D, Cao Z, Cavallo L, Oliva R, Sun Y, Zhu S, Shen Y, Park T, Woo H, Yang J, Kwon S, Won J, Seok C, Kiyota Y, Kobayashi S, Harada Y, Takeda-Shitaka M, Kundrotas PJ, Singh A, Vakser IA, Dapkūnas J, Olechnovič K, Venclovas Č, Duan R, Qiu L, Xu X, Zhang S, Zou X, Wodak SJ. Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment., 2021 Aug, Proteins, doi: 10.1002/prot.26222. Link
Koukos P, Réau M*, Bonvin A, Shape-restrained modelling of protein-small molecule complexes with HADDOCK., 2021 June, *J. Chem. Inf. Model. doi: 0.1021/acs.jcim.1c00796, Link
Sellami S, Réau M, Langenfeld F, Lagarde N, Montes M, Book chapter: Virtual Libraries for Docking Methods: Guidelines for the Selection and the Preparation, 2021 Nov, Molecular Docking for Computer-Aided Drug Design (pp.99-117), Fundamentals, Techniques, Resources and Applications, doi: 10.1016/B978-0-12-822312-3.00017-5, Link
Réau M, Lagarde N, Zagury JF, Montes M, Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds, 2019 Nov, Cells, doi: 10.3390/cells8111431, Link
Cerisier N, Petitjean M, Regad L, Bayard Q, Réau M, Camproux AC , High Impact: The Role of Promiscuous Binding Sites in Polypharmacology, 2019 Jul, Molecules, doi: 0.3390/molecules24142529, Link
Réau M, Lagarde N, Zagury JF, Montes M, Nuclear Receptors DataBase Including Negative Data (NR-DBIND): A database dedicated to nuclear receptors binding data including negative data and pharmacological profile, 2018 Nov, Journal of Medicinal Chemistry, doi: 10.1021/acs.jmedchem.8b01105, Link
Réau M, Langenfeld F, Zagury JF, Lagarde N, Montes M, Decoys Selection in Benchmarking Datasets: Overview and Perspectives., Frontiers in Pharmacology, 2018 Jan. doi: 10.3389/fphar.2018.00011, Link
Réau M, Langenfeld F, Zagury JF, Montes M, Predicting the affinity of Farnesoid X Receptor ligands through a hierarchical ranking protocol: a D3R Grand Challenge 2 case study., Journal of Computer Aided Molecular Design. 2018 Jan. doi: 10.1007/s10822-017-0063-0, Link
Lagarde N, Delahaye S, Jérémie A, Ben Nasr N, Guillemain H, Empereur-Mot C, Laville V, Labib T, Réau M, Langenfeld F, Zagury JF, Montes M., Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches., Molecular Informatics. 2017 Oct. doi: 10.1002/minf.201700020, Link

Contributions in conferences

Oral contributions

NWO CHAINS 2021 - Focus session: Structural Bioinformatics and Drug Discovery - December 2021 - Online - Link
Shape-restrained modeling of protein-small moleculecomplexes with HADDOCK
EMBO Workshop: Advances and Challenges in Biomolecular Simulations - October 2021 - Online - Link
Shape-restrained modeling of protein-small molecule complexes with HADDOCK
New directions of AI in structural biology - CIRM (Centre International de Rencontres Mathématiques) - August 2021 - Online - Link
DeepRank: deep-learning frameworks for datamining 3D protein-protein interfaces
ISC - Deep Learning on Supercomputers - July 2021 - Online - Link
Deep-learning approaches to Learn Interaction Patterns from Protein-Protein Interfaces
Bioexcel - January 2021 - Online
Drug repurposing on the A20 protein of the Vaccinia virus
SFCI (Société Française de Chémoinformatique - 9th edition) - November 2019 - Paris, France - Link
Hits discovery on the Androgen receptor: in silico approaches to identify agonist compounds
SCT - YRFM (Société de Chimie Thérapeutique - Young Research Fellows Meeting) - February 2019 - Paris, France - Link
Use of annotated databases in in silico drug design - Integration of inactive data
JOBIM (Journées Ouvertes Biologie, Informatique et Mathématiques) - July 2018 - Marseille, France - Link
NR-DBIND : A database dedicated to nuclear receptor binding data including negative data and pharmacological profile

Poster presentations

GGMM (Groupe de Graphisme et de Modélisation Moléculaire)/SFCI (Socété Française de Chemoinformatique) - October 2021 - Lille, France Link
Deeprank-GNN: A Graph Neural Network Framework to Learn Interaction Patterns from protein-protein interfaces
ISQBP (International Society of Quantum Biology and Pharmacology) - June 2021 - Strasbourg, France - Online Link
Deeprank-GNN: A Graph Neural Network Framework to Learn Interaction Patterns from Protein-Protein Interfaces
GGMM (Groupe de Graphisme et de Modélisation Moléculaire) - April 2019 - Nice, France - Link
Title : “NR-DBIND : A database dedicated to nuclear receptors binding data including negative data and pharmacological profile”
GCC (German Conference on Chemoinformatics) - November 2018 - Mainz, Germany - Link
Title : “Integration of Negative Data into Benchmarking Database: Application to Nuclear Receptors”
J2A - Ecole doctorale SMI 432 - June 2018 - Paris, France
Title : “Nuclear Receptors Binding and Activity Data”