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. Author manuscript; available in PMC: 2023 Feb 3.
Published in final edited form as: IEEE/ACM Trans Comput Biol Bioinform. 2022 Feb 3;19(1):407–417. doi: 10.1109/TCBB.2020.3046945

Fig. 1: Local box featurization (3D data representation).

Fig. 1:

The grid box encompasses the area around the binding site, centered on the ligand. Each channel includes only a specific feature, e.g. from left to right, the three channels shown are the excluded volume channel for the ligand as well as the hydrophobic and aromatic channels for protein. Each sample is described in terms of 24 channels in total.