GROMACS 2016.5 is available
The official release of GROMACS 2016.5 is available! This release fixes several minor issues found since 2016.4. It incorporates all the fixes found in the 5.1.5 release. We encourage all users of the 2016 series to update to 2016.5. Please see the link to the release notes below for more details. You can find the […]
Read MoreCommon 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 also be described graphically and […]
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SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
We are pleased to announce the publication of this paper in the journal Scientific Reports. Abstract We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated accuracy of 0.95 and sensitivity of 0.98 on an independent test set. The predictor […]
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Job: Post-doctoral researcher with the HADDOCK team
The computational structural biology group of Prof. Alexandre Bonvin at Utrecht University has an opening for a post-doctoral researcher (1.0 FTE). The candidate will work in the context of the European Open Science Cloud Hub (EOSC-Hub) project, a 30 million EU e-infrastructure project providing a variety of compute services to the scientific community. In the […]
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Webinar: CWLEXEC: A new open source tool to run CWL workflows on LSF (2018-02-28)
BioExcel’s webinar series continue with a special discussion on CWLEXEC: A new open source tool to run CWL workflows on LSF Register Abstract The Common Workflow Language (CWL) is a community-led specification for describing analysis workflows and tools in a way that makes them portable and scalable across a variety of software and hardware environments, […]
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