The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2022 update Nucleic Acids Research 50 (W1), W345-W351, 2022 | 236 | 2022 |
Multisecond ligand dissociation dynamics from atomistic simulations S Wolf, B Lickert, S Bray, G Stock Nature communications 11 (1), 2918, 2020 | 63 | 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 | 32* | 2021 |
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 | 29 | 2020 |
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 | 17 | 2021 |
Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial SA Bray, T Senapathi, CB Barnett, BA Grüning Journal of Cheminformatics 12 (1), 54, 2020 | 16 | 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 | 13 | 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 | 10* | 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 | 5* | 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 (1), 22, 2022 | 4 | 2022 |
Hands-on: Hands-on: Running molecular dynamics simulations using GROMACS S Bray Galaxy Training Network, 2023 | 2 | 2023 |
Hands-on: Hands-on: Automating Galaxy workflows using the command line S Bray, W Maier Galaxy Training Network, 2023 | 1 | 2023 |
Classification in Machine Learning A Khanteymoori, A Kumar, S Bray Galaxy Training Network, 2023 | 1 | 2023 |
Prediction of Absolute Binding and Unbinding Kinetics on Timescales of a Minute from Sub-Microsecond MD Simulations S Wolf, B Lickert, S Bray, G Stock Biophysical Journal 120 (3), 77a, 2021 | 1 | 2021 |
Hands-on: Hands-on: Protein target prediction of a bioactive ligand with Align-it and ePharmaLib AFA Moumbock, S Bray Galaxy Training Network, 2024 | | 2024 |
Hands-on: Hands-on: Classification in Machine Learning A Khanteymoori, A Kumar, S Bray Galaxy Training Network, 2024 | | 2024 |
Hands-on: Hands-on: High Throughput Molecular Dynamics and Analysis S Bray, T Senapathi, C Barnett, B Grüning Galaxy Training Network, 2024 | | 2024 |
Hands-on: Hands-on: Setting up molecular systems C Barnett, S Bray, N Goué Galaxy Training Network, 2023 | | 2023 |
Hands-on: Hands-on: Protein-ligand docking S Bray Galaxy Training Network, 2023 | | 2023 |
Hands-on: Hands-on: Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring S Bray Galaxy Training Network, 2023 | | 2023 |