Jupyter Notebook Protein Conformational Transitions calculations tutorial

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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.

Version History

Version 2 (latest) Created 4th Mar 2024 at 15:26 by Genís Bayarri

Update to 4.1.*


Frozen Version-2 179d0dc

Version 1 (earliest) Created 2nd Aug 2023 at 10:35 by Genís Bayarri

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Frozen Version-1 c92cc96
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Citation
Hospital, A., & Bayarri, G. (2024). Jupyter Notebook Protein Conformational Transitions calculations tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.548.2
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Views: 998

Created: 2nd Aug 2023 at 10:35

Last updated: 2nd Aug 2023 at 10:37

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