Rational discovery of novel nuclear hormone receptor antagonists. - Matthieu Schapira; Bruce M. Raaka; Herbert H. Samuels; Ruben Abagyan (Proc. Natl. Acad. Sci. USA, 2000)

Evaluation of Virtual Screening as a Tool for Chemical Genetic Applications. - Valérie Campagna-Slater; Matthieu Schapira (J. Chem. Inf. Model., 2009)

Structural genomics of histone tail recognition. - Minghua Wang; Man Wai Mok; Hong Harper; Wen Hwa Lee; Jinrong Min; Stefan Knapp; Udo C. T. Oppermann; Brian D. Marsden; Matthieu Schapira (Bioinform., 2010)

Pharmacophore Screening of the Protein Data Bank for Specific Binding Site Chemistry. - Valérie Campagna-Slater; Andrew G. Arrowsmith; Yong Zhao; Matthieu Schapira (J. Chem. Inf. Model., 2010)

Druggability of methyl-lysine binding sites. - Calvin Santiago; Kong T. Nguyen; Matthieu Schapira (J. Comput. Aided Mol. Des., 2011)

Structural Chemistry of the Histone Methyltransferases Cofactor Binding Site. - Valérie Campagna-Slater; Man Wai Mok; Kong T. Nguyen; Miklos Feher; Rafael Najmanovich; Matthieu Schapira (J. Chem. Inf. Model., 2011)

Normalizing Molecular Docking Rankings using Virtually Generated Decoys. - Izhar Wallach; Navdeep Jaitly; Kong T. Nguyen; Matthieu Schapira; Ryan H. Lilien (J. Chem. Inf. Model., 2011)

ChromoHub: a data hub for navigators of chromatin-mediated signalling. - Lihua Liu; Xi Ting Zhen; Emily Denton; Brian D. Marsden; Matthieu Schapira (Bioinform., 2012)

Strategy to Target the Substrate Binding site of SET Domain Protein Methyltransferases. - Kong T. Nguyen; Fengling Li; Gennadiy Poda; David Smil; Masoud Vedadi; Matthieu Schapira (J. Chem. Inf. Model., 2013)

ChromoHub V2: cancer genomics. - Muhammad A. Shah; Emily Denton; Lihua Liu; Matthieu Schapira (Bioinform., 2014)

UbiHub: a data hub for the explorers of ubiquitination pathways. - Lihua Liu; David R. Damerell; Leonidas Koukouflis; Yufeng Tong 001; Brian D. Marsden; Matthieu Schapira (Bioinform., 2019)

Open laboratory notebooks: good for science, good for society, good for scientists. - Matthieu Schapira; Open Lab Notebook Consortium; Rachel J. Harding (F1000Research, 2019)

Ten simple rules for open human health research. - Aïda Bafeta; Jason Bobe; Jon Clucas; Pattie Pramila Gonsalves; Célya Gruson-Daniel; Kathy L. Hudson; Arno Klein; Anirudh Krishnakumar; Anna McCollister-Slipp; Ariel B. Lindner; Dusan Misevic; John A. Naslund; et al. (PLoS Comput. Biol., 2020)

ChemBioPort: an online portal to navigate the structure, function and chemical inhibition of the human proteome. - Lihua Liu; Evianne Rovers; Matthieu Schapira (Database J. Biol. Databases Curation, 2022)

Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. - Serah W. Kimani; Julie Owen; Stuart R. Green; Fengling Li; Yanjun Li; Aiping Dong; Peter J. Brown; Suzanne Ackloo; David Kuter; Cindy Yang; Miranda Macaskill; Stephen Scott Mackinnon; et al. (J. Chem. Inf. Model., 2023)

Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2. - Merveille K. I. Eguida; Guillaume Bret; François Sindt; Fengling Li; Irene Chau; Suzanne Ackloo; Cheryl H. Arrowsmith; Albina Bolotokova; Pegah Ghiabi; Elisa Gibson; Levon Halabelian; Scott Houliston; et al. (J. Chem. Inf. Model., 2024)

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. - Fengling Li; Suzanne Ackloo; Cheryl H. Arrowsmith; Fuqiang Ban; Christopher J. Barden; Hartmut Beck; Jan Beránek; Francois Berenger; Albina Bolotokova; Guillaume Bret; Marko Breznik; Emanuele Carosati; et al. (J. Chem. Inf. Model., 2024)

Benchmarking Methods for PROTAC Ternary Complex Structure Prediction. - Evianne Rovers; Matthieu Schapira (J. Chem. Inf. Model., 2024)

Probe my Pathway (PmP): a portal to explore the chemical coverage of the human Reactome. - Haejin Angela Kwak; Lihua Liu; Matthieu Schapira (Database J. Biol. Databases Curation, 2024)

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities. - Filipp Gusev; Evgeny Gutkin; Francesco Gentile; Fuqiang Ban; S. Benjamin Koby; Fengling Li; Irene Chau; Suzanne Ackloo; Cheryl H. Arrowsmith; Albina Bolotokova; Pegah Ghiabi; Elisa Gibson; et al. (J. Chem. Inf. Model., 2025)

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13. - Oleksandra Herasymenko; Madhushika Silva; Abd Al-Aziz A. Abu-Saleh; Ayaz Ahmad; Jesus Alvarado-Huayhuaz; Oscar Emilio Arrúa Arce; Roly J. Armstrong; Cheryl H. Arrowsmith; Kelly E. Bachta; Hartmut Beck; Dénes Berta; Mateusz K. Bieniek; et al. (J. Chem. Inf. Model., 2025)

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks. - Christian Kramer; John D. Chodera; Kelly L. Damm-Ganamet; Michael K. Gilson; Judith Guenther; Uta F. Lessel; Richard A. Lewis; David L. Mobley; Eva Nittinger; Adam Pecina; Matthieu Schapira; W. Patrick Walters (J. Chem. Inf. Model., 2025)