Apache Airflow Protein Conformational Transitions calculations tutorial
Version 1

Workflow Type: Apache Airflow

Stable

Protein Conformational Transitions calculations tutorial using BioExcel Building Blocks (biobb) and GOdMD

This tutorial aims to illustrate the process of computing a conformational transition between two known structural conformations of a protein, step by step, using the BioExcel Building Blocks library (biobb).

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 H2020 823830, EU H2020 675728).

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

SEEK ID: https://workflowhub.eu/workflows/2128?version=1

DOI: 10.48546/workflowhub.workflow.2128.1

Version History

Version 1 (earliest) Created 25th Mar 2026 at 14:49 by Genís Bayarri

Initial commit

Frozen Version-1 03178ee

Creators and Submitter

Creators

Submitter

Genís Bayarri

Discussion Channel

BioExcel Workflows

Citation

Bayarri, G., & Hospital, A. (2026). Apache Airflow Protein Conformational Transitions calculations tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.2128.1

License

Apache License 2.0 (Apache-2.0)

Activity

Views: 218 Downloads: 58

Created: 25th Mar 2026 at 14:49

Apache Airflow Protein Conformational Transitions calculations tutorial Version 1