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. 2015 Aug 24;43(19):9474–9488. doi: 10.1093/nar/gkv823

Figure 3.

Figure 3.

Graph substructuring procedure from fragment library point of view. (A) Calculation of the new Laplacian matrix and its corresponding topology ID of subgraphs made of vertices {1, 2, 3, 5}. (B) Extraction of the 3D-subgraphs and 3D-subfragments of the subgraph {1, 2, 3, 5}. Blue dots represent the additional vertices in 3D-graphs.