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Sketch of the process of characterizing a protein–ligand complex (PDB: 2p33) as a set of structure-derived descriptors (C.C to I.I). The discontinuous green lines connect the ligand chlorine atom with all protein carbon atoms within the distance cutoff represented by the green sphere, with the number of these pairs giving value to the C.Cl descriptor. The rest of the descriptors are calculated in an analogous manner.
