DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network
Fig 7
Distribution of class-activation map (CAM) scores for specific ligand-protein interactions.
Three interaction types, hydrogen bonds, aromatic and hydrophobic contacts are reported by the LPC program for (A) nucleotide- and (B) heme-binding pockets. For each interaction type, grid points are divided into two groups, those points in close proximity to residues forming a particular contact and the remaining points that are closer to residues not forming these interactions. The last pair of violins are plotted for grid points randomly assigned into two groups, irrespectively of any ligand-protein interactions. Horizontal blue lines represent median values, and whiskers extend to the most extreme non-outlier data points.