Simon Bray

Former Affiliations

Contributions

The following list includes only slides and tutorials where the individual or organisation has been added to the contributor list. This may not include the sum total of their contributions to the training materials (e.g. GTN css or design, tutorial datasets, workflow development, etc.) unless described by a news post.

Editorial Roles

This contributor has taken on additional responsibilities as an editor for the following topics. They are responsible for ensuring that the content is up to date, accurate, and follows GTN best practices.

• Computational chemistry

Tutorials

• Development in Galaxy / Contributing to BioBlend as a developer
• Computational chemistry / Protein-ligand docking
• Computational chemistry / High Throughput Molecular Dynamics and Analysis
• Computational chemistry / Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
• Computational chemistry / Running molecular dynamics simulations using GROMACS
• Computational chemistry / Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
• Computational chemistry / Analysis of molecular dynamics simulations
• Computational chemistry / Running molecular dynamics simulations using NAMD
• Computational chemistry / Setting up molecular systems
• Statistics and machine learning / Regression in Machine Learning
• Statistics and machine learning / Classification in Machine Learning
• Using Galaxy and Managing your Data / Automating Galaxy workflows using the command line

FAQs

• Creating a new file

Video Recordings

• Galaxy Server administration / Running Jobs on Remote Resources with Pulsar 💬
• Computational chemistry / High Throughput Molecular Dynamics and Analysis 💬 🗣
• Using Galaxy and Managing your Data / Automating Galaxy workflows using the command line 💬 🗣

GitHub Activity

github Issues Reported

24 Merged Pull Requests

See all of the github Pull Requests and github Commits by Simon Bray.

• Change default job runner to slurm in "Connecting Galaxy to a compute cluster tutorial"
• Fix link to advanced mdanalysis workflow
• Clarification about the G5E ligand in the HTMD tutorial
• Fix rendering of workflow import snippet
• Small updates / fixes for QC tutorial

Reviewed 26 PRs

We love our community reviewing each other's work!

• New tutorial: data management in medicinal chemistry
  computational-chemistry
• Add faq on creating workflow test
• Fix minor typos
• Update computational chemistry tutorial
• Fix rendering of workflow import snippet

News

External Links

Favourite Topics

Favourite Formats