SPINE: an integrated tracking database and data mining approach for identifying feasible targets in high-throughput structural proteomics. - Paul Bertone; Yuval Kluger; Ning Lan; Deyou Zheng; Dinesh Christendat; Adelinda Yee; Aled M. Edwards; Cheryl H. Arrowsmith; Gaetano T. Montelione; Mark Gerstein (Nucleic Acids Res., 2001)

Analysis of binding site similarity, small-molecule similarity and experimental binding profiles in the human cytosolic sulfotransferase family. - Rafael Najmanovich; Abdellah Allali-Hassani; Richard J. Morris; Ludmila Dombrovsky; Patricia W. Pan; Masoud Vedadi; Alexander N. Plotnikov; Aled M. Edwards; Cheryl H. Arrowsmith; Janet M. Thornton (Bioinform., 2007)

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)

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)