Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? - Malgorzata N. Drwal; Célien Jacquemard; Carlos Perez; Jérémy Desaphy; Esther Kellenberger (J. Chem. Inf. Model., 2017)

Binding mode information improves fragment docking. - Célien Jacquemard; Malgorzata N. Drwal; Jérémy Desaphy; Esther Kellenberger (J. Cheminformatics, 2019)

LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening. - Viet-Khoa Tran-Nguyen; Célien Jacquemard; Didier Rognan (J. Chem. Inf. Model., 2020)

Comparing transmembrane protein structures with ATOLL. - Célien Jacquemard; Guillaume Bret; Thomas Grutter; Esther Kellenberger (Bioinform., 2022)

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 AlphaFold-Generated Structures of Chemokine-Chemokine Receptor Complexes. - Lauri Urvas; Luca Chiesa; Guillaume Bret; Célien Jacquemard; Esther Kellenberger (J. Chem. Inf. Model., 2024)