Multisecond ligand dissociation dynamics from atomistic simulations

por Wolf, Steffen, Lickert, Benjamin, Bray, Simon, Stock, Gerhard
Publicado 2020

The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform

por Bray, Simon A., Lucas, Xavier, Kumar, Anup, Grüning, Björn A.
Publicado 2020

Data on elemental concentrations in marine sediments from the South and South West of England

por Richir, Jonathan, Bray, Simon, McAleese, Tom, Watson, Gordon J.
Publicado 2021

Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial

por Bray, Simon A., Senapathi, Tharindu, Barnett, Christopher B., Grüning, Björn A.
Publicado 2020

Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

por Bray, Simon, Dudgeon, Tim, Skyner, Rachael, Backofen, Rolf, Grüning, Björn, von Delft, Frank
Publicado 2022

Galaxy-ML: An accessible, reproducible, and scalable machine learning toolkit for biomedicine

por Gu, Qiang, Kumar, Anup, Bray, Simon, Creason, Allison, Khanteymoori, Alireza, Jalili, Vahid, Grüning, Björn, Goecks, Jeremy
Publicado 2021

Observation of microstructure evolution during inertia friction welding using in-situ synchrotron X-ray diffraction

por Rowson, Matthew, Bennett, Chris J., Azeem, Mohammed A., Magdysyuk, Oxana, Rouse, James, Lye, Ryan, Davies, Joshua, Bray, Simon, Lee, Peter D.
Publicado 2021

The Planemo toolkit for developing, deploying, and executing scientific data analyses in Galaxy and beyond

por Bray, Simon, Chilton, John, Bernt, Matthias, Soranzo, Nicola, van den Beek, Marius, Batut, Bérénice, Rasche, Helena, Čech, Martin, Cock, Peter J.A., Grüning, Björn, Nekrutenko, Anton
Publicado 2023

Freely accessible ready to use global infrastructure for SARS-CoV-2 monitoring

por Maier, Wolfgang, Bray, Simon, van den Beek, Marius, Bouvier, Dave, Coraor, Nathaniel, Miladi, Milad, Singh, Babita, De Argila, Jordi Rambla, Baker, Dannon, Roach, Nathan, Gladman, Simon, Coppens, Frederik, Martin, Darren P, Lonie, Andrew, Grüning, Björn, Kosakovsky Pond, Sergei L., Nekrutenko, Anton
Publicado 2021