Apache Airflow Protein-Membrane MD analysis tutorial
Version 1

Workflow Type: Apache Airflow

Stable

Protein-Membrane MD analysis tutorial using BioExcel Building Blocks (biobb)

This tutorial aims to illustrate the process of analyzing a membrane molecular dynamics (MD) simulation using the BioExcel Building Blocks library (biobb). The particular example used is the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA), a major inhibitory neurotransmitter in the brain, which was embedded in a DPPC membrane in the MemProtMD project, which trajectory is obtained from the MDDB, where we can find it under the A01M6 accession id.

Copyright & Licensing

This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU Horizon Europe 101093290, EU H2020 823830, EU H2020 675728).

Licensed under the Apache License 2.0, see the file LICENSE for details.

SEEK ID: https://workflowhub.eu/workflows/2152?version=1

DOI: 10.48546/workflowhub.workflow.2152.1

Version History

Version 1 (earliest) Created 27th Mar 2026 at 10:48 by Genís Bayarri

Initial commit

Frozen Version-1 19a70c4

Creators and Submitter

Creators

Submitter

Genís Bayarri

Discussion Channel

BioExcel Workflows

Citation

Bayarri, G., & Hospital, A. (2026). Apache Airflow Protein-Membrane MD analysis tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.2152.1

License

Apache License 2.0 (Apache-2.0)

Activity

Views: 247 Downloads: 42

Created: 27th Mar 2026 at 10:48

Apache Airflow Protein-Membrane MD analysis tutorial Version 1