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I'm trying to dock a zinc complex, but when I tried to prepare the ligand, I get an error saying that there are no Gasteiger parameters available for it. I know you can add atom types in Autodock...
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I have been docking a cyclic peptide to its receptor for a while now. The affinity comes back around -9 kcal/mol no matter if I change the chirality of the peptide's amino acids, or if I increase...
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