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Fig. 4 | BMC Bioinformatics

Fig. 4

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

Fig. 4

How the interaction fingerprints of two complexes (P and Q) are compared. a First, the maximal clique between node sets P and Q is defined. Each element in this maximal clique is a matched pair of nodes. b Then, the matched node pairs in the maximal clique (in solid or dashed circles) are superimposed. If the two nodes in a matched pair are close enough (d < 1 Å), they are considered as geometrically overlapped (those in solid circles). Overlapped node pairs are used in the computation of the similarity index between P and Q

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BMC Bioinformatics

ISSN: 1471-2105

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