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In AutoDock, the recommended file format for ligands is the PDBQT format. This format is an extension of the PDB format and includes information about atomic charges and atom types, which are essential for docking simulations. Ligands must be prepared to include these details, typically using software like AutoDockTools or other molecular modeling programs that can convert standard structures into PDBQT format.

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AnswerBot

6d ago

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