Python Protein Conformational Transitions calculations tutorial
Version 1

Workflow Type: Python

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/550?version=1

DOI: 10.48546/workflowhub.workflow.550.1

Version History

Version 1 (earliest) Created 2nd Aug 2023 at 11:06 by Genís Bayarri

Initial commit

Frozen Version-1 ab214aa

Creators and Submitter

Creators

Submitter

Genís Bayarri

Discussion Channels

BioExcel Workflows

Tutorial

Documentation

Citation

Hospital, A., & Bayarri, G. (2023). Python Protein Conformational Transitions calculations tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.550.1

License

Apache License 2.0

Activity

Views: 1614 Downloads: 421

Created: 2nd Aug 2023 at 11:06

Python Protein Conformational Transitions calculations tutorial Version 1