Dataset for the article "Predicting unknown binding sites for transition metal based compounds in proteins"
Abstract
This dataset contains additional material related to the article "Predicting unknown binding sites for transition-metal-based compounds in proteins". It includes a Jupyter Notebook for performing Metal1D and Metal3D predictions for all the systems studied, as well as the results of the predictions and visualizations.
Fields of Study & Subjects
Machine Learning in Bioinformatics
Computational Drug Discovery Methods
Protein Structure and Dynamics
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 29 January 2026
- Document type
- Dataset