tooluniverse-structural-proteomics
Structural Proteomics for Drug Target Validation
Comprehensive structural data integration using ToolUniverse tools across PDB, AlphaFold, GPCRdb, SAbDab, and proteomics databases for drug target validation.
LOOK UP DON'T GUESS
- PDB structures/resolutions:
PDBeSIFTS_get_best_structuresandRCSBGraphQL_get_structure_summary - AlphaFold confidence:
alphafold_get_summary - Ligands/affinities:
PDBe_get_structure_ligandsandBindingDB_get_ligands_by_uniprot - Druggability:
ProteinsPlus_predict_binding_sites
COMPUTE, DON'T DESCRIBE
When analysis requires computation (statistics, data processing, scoring, enrichment), write and run Python code via Bash. Don't describe what you would do — execute it and report actual results. Use ToolUniverse tools to retrieve data, then Python (pandas, scipy, statsmodels, matplotlib) to analyze it.
Domain Reasoning
Resolution determines valid conclusions: <2A = atom positions visible; 2-3A = side chains reliable, drug design supported; >3A = backbone only, binding site unreliable. Do not over-interpret low-resolution structures.
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