Biomolecular Reaction and Interaction Dynamics Global Environment (BRIDGE). - Tharindu Senapathi; Simon Bray; Christopher B. Barnett; Björn A. Grüning; Kevin J. Naidoo (Bioinform., 2019)

The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform. - Simon Bray; Xavier Lucas; Anup Kumar; Björn A. Grüning (J. Cheminformatics, 2020)

Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial. - Simon Bray; Tharindu Senapathi; Christopher B. Barnett; Björn A. Grüning (J. Cheminformatics, 2020)

Galaxy-ML: An accessible, reproducible, and scalable machine learning toolkit for biomedicine. - Qiang Gu; Anup Kumar; Simon Bray; Allison Creason; Alireza Khanteymoori; Vahid Jalili; Björn A. Grüning; Jeremy Goecks (PLoS Comput. Biol., 2021)

Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease. - Simon Bray; Tim Dudgeon; Rachael Skyner; Rolf Backofen; Björn A. Grüning; Frank von Delft (J. Cheminformatics, 2022)

Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods. - Simon Bray; Victor Tänzel; Steffen Wolf (J. Chem. Inf. Model., 2022)

Developing a workflow management system for fragment-based virtual screening - Simon Bray (2023)