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Fig. 3 | BMC Bioinformatics

Fig. 3

From: Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

Fig. 3

Illustration of how the 3D interaction fingerprints used in structural comparison are generated. a The original binding pocket and the ligand molecule. b Only the pocket residues carrying an interaction pattern are kept. c Each interaction pattern is then degraded into a pair of nodes, where one node is placed on the alpha-carbon of the residue and the other on the ligand atom relevant to this interaction pattern

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BMC Bioinformatics

ISSN: 1471-2105

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