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Ligand4d0d_ligand.pdb
Receptor4d0d_receptor.pdb
Box center ligand center : (-11.5, -27.1, 78.0) angstrom
Box dimensions ligand-based : (35.6, 22.3, 17.1) angstrom
Runtime 00:26:46

For each ligand conformation, the binding score is reported in kcal/mol, and the heavy-atom RMSD to the original pdb conformation is reported in Å.

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RMSD values are calculated by comparing the original pdb conformation with each fragment conformation, considering all heavy atoms of the ligand.