BioExcel Building Blocks tutorials: Mutation Free Energy Calculations
This tutorial aims to illustrate how to compute a fast-growth mutation free energy calculation, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Staphylococcal nuclease protein (PDB code 1STN), a small, minimal protein, appropriate for a short tutorial.
Topics
Collections
Details
- License:
- Apache-2.0
- Maturity:
- Emerging
- Cost:
- Free of charge
- Tool Type:
- workflow
- Operating Systems:
- Linux, Mac, Windows
- Programming Languages:
- Python
- Added:
- 5/12/2020
- Last Updated:
- 6/23/2026
Operations
Data Inputs & Outputs
Molecular dynamics
Publications
Documentation
Other
https://biobb-wf-pmx-tutorial.readthedocs.io/en/latest/index.htmlRead the Docs workflow documentation
Downloads
- Source codeVersion: March 2020https://github.com/bioexcel/biobb_wf_pmx_tutorial