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The PDB file was then opened with Pymol 2.5.2 software to remove water molecules and small ligands from the protein conformation, and then the resulting input was pre-processed with AutoDockTools 1.5.7 software for hydrogenation and other pre-processing, and the final file type was converted to PDBQT format
PMID: 10469335 Goldstein AL, et al
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