In a recent article we reported the performance of HADDOCK in the 2018 iteration of the Grand Challenge organised by the D3R consortium. Building on the findings of our participation in last year’s challenge, we significantly improved our pose prediction protocol which resulted in a mean RMSD for the top […]
Last June 2018, 4th to 7th, ELIXIR Europe run its annual all-hands meeting. Members from across the ELIXIR Nodes (with more than 20 countries) joint together to review achievements and activities from last year and discuss plans for the future. The venue for this year’s event was one of the […]
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 […]
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 […]
Our HADDOCK web portal has reached today a new milestone with 10000 registered users from all around the world! Since June 2008, the server has processed over 180’000 docking runs, about 35% of whose have run on the High Throughput Computing (HTC) resources of EGI building on the European e-Infrastructure. […]
In order to be able to develop new drugs against infectious diseases, researchers need to understand their molecular basis. How does the proliferation of a pathogen proceed, what interactions take place between it and the host cell and how are these processes regulated? For this purpose, protein-RNA complexes are examined. […]