ErePOC raw data

This Zenodo deposit contains the raw and processed datasets, source code, and PyMOL session files generated in the ErePOC study. The datasets include: Raw and processed data: Protein-ligand pocket interaction data underlying Figures 1, 2, 5, 7, and Supplementary Figures S1–S4, S9, S12–S13, S15, and S17–S19. Processed inputs required to reproduce t-SNE visualizations in Figure 4 and Supplementary Figures S5–S11 and S14. Source Data Excel files: Individual files corresponding to all quantitative figures with manageable data size (Figures 1, 2, 5, 7 and Supplementary Figures S1–S4, S9, S12–S13, S15, S17–S19). PyMOL session files: Structural visualization sessions for Figure 6 and Supplementary Figure S16 (.pse files). Protein structure and reference data: Lists of target proteins for BioLiP2, AlphaFill, and AlphaFold-predicted human proteins, as well as PDB code mappings for DEL and FDA-AD targets. Original BioLiP2, AlphaFill, and AlphaFold-predicted protein structures are available from the respective databases: BioLiP: https://zhanggroup.org/BioLiP/ AlphaFill: https://alphafill.eu/ AlphaFold: https://alphafold.ebi.ac.uk/download Source code: Full source code used in this study is available at GitHub: https://github.com/JingHuangLab/ErePOC, along with processed inputs required to reproduce all analyses. All datasets, source code, and PyMOL session files are provided to enable reproducibility of the results presented in the ErePOC study.