{"skill":{"slug":"molecular-docking","displayName":"Molecular Docking","summary":"Molecular docking workflows across Gnina, AutoDock Vina, PackDock, SurfDock, and DiffDock through SciMiner, with Gnina as the default engine.","tags":{"latest":"1.0.2"},"stats":{"comments":0,"downloads":225,"installsAllTime":0,"installsCurrent":0,"stars":0,"versions":3},"createdAt":1778067248496,"updatedAt":1778492859420},"latestVersion":{"version":"1.0.2","createdAt":1778172458745,"changelog":"- Removed Get Box utility and all references to native binding-site extraction via ligand or known holo structures.\n- Updated binding-site acquisition to use only fpocket for predicting pockets from apo protein structures.\n- Adjusted workflow guidance and documentation to match the removal of Get Box and focus exclusively on fpocket for binding-site detection.\n- No changes to code or implementation files; update is documentation-only.","license":"MIT-0"},"metadata":null,"owner":{"handle":"sciminer","userId":"s170qp1q4twz35wa85ppa8894h83w461","displayName":"SciMiner","image":null},"moderation":null}