| Multisecond ligand dissociation dynamics from atomistic simulations S Wolf, B Lickert, S Bray, G Stock Nature communications 11 (1), 2918, 2020 | 92 | 2020 |
| The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform SA Bray, X Lucas, A Kumar, BA Grüning Journal of Cheminformatics 12 (1), 40, 2020 | 46 | 2020 |
| Ready-to-use public infrastructure for global SARS-CoV-2 monitoring W Maier, S Bray, M van den Beek, D Bouvier, N Coraor, M Miladi, B Singh, ... Nature biotechnology 39 (10), 1178-1179, 2021 | 41* | 2021 |
| Galaxy-ML: An accessible, reproducible, and scalable machine learning toolkit for biomedicine Q Gu, A Kumar, S Bray, A Creason, A Khanteymoori, V Jalili, B Grüning, ... PLoS computational biology 17 (6), e1009014, 2021 | 25 | 2021 |
| Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial SA Bray, T Senapathi, CB Barnett, BA Grüning Journal of Cheminformatics 12, 54, 2020 | 24 | 2020 |
| Biomolecular reaction and interaction dynamics global environment (BRIDGE) T Senapathi, S Bray, CB Barnett, B Grüning, KJ Naidoo Bioinformatics 35 (18), 3508-3509, 2019 | 22 | 2019 |
| Ligand unbinding pathway and mechanism analysis assisted by machine learning and graph methods S Bray, V Tänzel, S Wolf Journal of Chemical Information and Modeling 62 (19), 4591-4604, 2022 | 16* | 2022 |
| The Planemo toolkit for developing, deploying, and executing scientific data analyses in Galaxy and beyond S Bray, J Chilton, M Bernt, N Soranzo, M van den Beek, B Batut, ... Genome Research 33 (2), 261-268, 2023 | 15* | 2023 |
| Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease S Bray, T Dudgeon, R Skyner, R Backofen, B Grüning, F von Delft Journal of cheminformatics 14, 22, 2022 | 12 | 2022 |
| Analysis of molecular dynamics simulation C Barnett, T Senapathi, S Bray, N Goue Galaxy Training Materials, 1, 2018 | 5 | 2018 |
| Automating Galaxy workflows using the command line S Bray, W Maier, G Le Corguillé Galaxy Training Network, 2025 | 4 | 2025 |
| Running molecular dynamics simulations using GROMACS S Bray Galaxy Training Network, 2023 | 2 | 2023 |
| Classification in Machine Learning A Khanteymoori, A Kumar, S Bray Galaxy Training Network, 2025 | 1 | 2025 |
| High Throughput Molecular Dynamics and Analysis S Bray, T Senapathi, C Barnett, B Grüning Galaxy Training Network, 2025 | 1 | 2025 |
| Supplementary Material: Galaxy-ML: An accessible, reproducible, and scalable machine learning toolkit for biomedicine Q Gu, A Kumar, S Bray, A Creason, A Khanteymoori Workflow recommendations using deep learning and machine learning tools for …, 2024 | | 2024 |
| Protein target prediction of a bioactive ligand with Align-it and ePharmaLib AFA Moumbock, S Bray Galaxy Training Network, 2024 | | 2024 |
| Contributing to BioBlend as a developer E Schill, S Bray Galaxy Training Network, 2023 | | 2023 |
| Creating a new file B Batut, S Hiltemann, W Maier, H Rasche, S Bray Galaxy Training Network, 2023 | | 2023 |
| Setting up molecular systems C Barnett, S Bray, N Goué Galaxy Training Network, 2023 | | 2023 |
| Protein-ligand docking S Bray Galaxy Training Network, 2023 | | 2023 |
