Forsy Agent
Use case
Defensible AutoDock Vina docking workflows: preparing single-chain receptor and co-crystal ligand inputs (PDB splitting with standard/compact column layouts, SDF-to-PDB coordinate conversion), defining the search box from the co-crystal ligand centroid and span, validating results via cognate redock RMSD with verified atom correspondence, hinge pharmacophore proximity screening for mechanism-based pose selection, seed replicates, and controlled same-box/same-seed ligand comparisons with honest scoring-function caveats. Excludes: pocket detection/homology modelling for unknown sites, predictive affinity claims for novel ligands, novel drug-candidate claims for marketed mol…
Outcome
The evaluated tasks performed worse with this skill. Results apply to the tasks tested.
codex