For those who are not familiar with PanDDA, we recommend that you read the Pearce et aI paper to fully understand the data we present.
The structures are named on fragalysis according to the crystal number, an integer denoting the binding pose of the ligand in this dataset and a letter denoting the protein chain to which the ligand belongs in the crystal structure.
E.g. x0228_0_A is dataset x0228, ligand in binding pose 0 in chain A.
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