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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).
- (c) 2015-2025 Barcelona Supercomputing Center
- (c) 2015-2025 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
Version History
Version 3 (latest) Created 6th Aug 2025 at 12:39 by Genís Bayarri
Update to 5.1.*
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Version 1 (earliest) Created 2nd Aug 2023 at 10:35 by Genís Bayarri
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Hospital, A., & Bayarri, G. (2025). Jupyter Notebook Protein Conformational Transitions calculations tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.548.3
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Views: 3885 Downloads: 1152
Created: 2nd Aug 2023 at 10:35
Last updated: 6th Aug 2025 at 12:41

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