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Simon Bray
Simon Bray
Gain Therapeutics
Verified email at gaintherapeutics.com
Title
Cited by
Cited by
Year
Multisecond ligand dissociation dynamics from atomistic simulations
S Wolf, B Lickert, S Bray, G Stock
Nature communications 11 (1), 2918, 2020
652020
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
34*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
332020
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
182021
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
172020
Biomolecular reaction and interaction dynamics global environment (BRIDGE)
T Senapathi, S Bray, CB Barnett, B Grüning, KJ Naidoo
Bioinformatics 35 (18), 3508-3509, 2019
152019
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
11*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
6*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
62022
Running molecular dynamics simulations using GROMACS
S Bray
Galaxy Training Network, 2023
22023
Classification in Machine Learning
A Khanteymoori, A Kumar, S Bray
Galaxy Training Network, 2024
12024
Automating Galaxy workflows using the command line
S Bray, W Maier
Galaxy Training Network, 2024
12024
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
AFA Moumbock, S Bray
Galaxy Training Network, 2024
2024
High Throughput Molecular Dynamics and Analysis
S Bray, T Senapathi, C Barnett, B Grüning
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
Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
S Bray
Galaxy Training Network, 2023
2023
Running molecular dynamics simulations using NAMD
C Barnett, T Senapathi, S Bray
Galaxy Training Network, 2023
2023
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