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tooluniverse-structural-proteomics

Structural biology plus proteomics integration for drug target validation. Combines PDB experimental structures, AlphaFold predictions, GPCRdb, SAbDab antibody structures, ProteinsPlus binding-site prediction, BindingDB ligand-affinity data, BMRB NMR data, CATH/InterPro fold classification, intrinsic-disorder prediction (MobiDB/DisProt/IUPred3), membrane-protein topology (OPM/TopDB/PDBTM/ChannelsDB), enzyme catalytic-site data (M-CSA), PDBe ligand/compound chemistry, and MD simulation trajectory metadata (MDDB). Use for druggability assessment, binding-site characterization, ligand-pocket analysis, structural-confidence scoring (resolution, pLDDT), antibody-target interface analysis, disordered-region assessment, membrane-protein topology, catalytic-mechanism lookup, and finding published MD simulations for a target.

Quality

87%

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The canonical home for this skill is tooluniverse-structural-proteomics in mims-harvard/ToolUniverse

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Repository

mims-harvard/ToolUniverse

Path

plugins/tooluniverse/skills/tooluniverse-structural-proteomics/SKILL.md

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