Success stories

Supporting the Pharmaceutical Industry: BioExcel experts visit Janssen’s R&D site in Belgium

BioExcel continues its direct support to industry through site visits. In early March we were pleased to participate in an exciting day of collaborative talks hosted by Janssen at their research site in Beerse, Belgium. The morning comprised of presentations by Janssen’s Computational Chemistry group, led by Herman van Vlijmen […]

Common Workflow Language

Community-led standard Case study: ELIXIR Workflow blocks Viewing CWL workflows Growing interest in CWL Scientific workflow systems are popular for organising and executing analytical and computational pipelines, particularly when combining disparate command line tools, repetitive executions and structured data capturing. Compared to scripts like Bash or Python, a workflow can […]

The pmx Webserver: a Powerful Tool for Free Energy Calculations

BioExcel supports the development of pmx, a tool for researchers utilising free energy calculations. Free energy calculations are extremely common in life sciences research. In molecular dynamics simulations, such as investigating how mutations affect protein function, these calculations provide insight into stability and affinity changes. One important branch of free […]