Deep geometric representations for modeling effects of mutations on protein-protein binding affinity
Fig 2
Visualization of the representation space of individual elements in the protein structure.
(A) The learned representation space of the atoms with different perturbed distances. (B) The representation space of the perturbed atoms by initialized neural weights (i.e., the weights are not tuned by self-supervised learning). (C) The learned representation space of α-carbon atoms, where the color stands for their locations (on or not on the interface) in complexes. (D) The space of α-carbon atoms by initialized neural weights. (E) The learned amino acid space, where the color indicates the corresponding group. (F) The amino acid space by initialized neural weights.