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Fast protein structure comparison through effective representation learning with contrastive graph neural networks

Fig 1

(A) The complete graph is constructed based on protein tertiary structure, where the adjacency matrix is derived from the intra-residue distance matrix. (B) Raw node features consist of distance-based feature x_v and angle-based feature x_a.

doi: https://doi.org/10.1371/journal.pcbi.1009986.g001