Resources
Computational biology guides
What docking, networks and analysis pipelines can and cannot show, and how to report them.
A minimum reporting checklist for in silico work
- Database names, versions and access dates
- Protein structure IDs and why they were chosen
- Preparation steps and software versions
- Validation step (e.g. re-docking a known ligand)
- Parameters and search space
- A clear statement that results are predictions
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