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AutoDock-Vina — Vecura
AutoDock-Vina
AutoDock Vina is one of the fastest and most widely used open-source molecular docking engines, based on a simple scoring function and rapid gradient-optimization conformational search.
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Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
Configure input settings on the left, then click "Run"
