Figure 5
From: Using diffusion distances for flexible molecular shape comparison
The DD descriptor is compared to ID for the morph deformations between two conformations of GroEL: 1AON and 1KP8. The first row shows the input four molecules with the same main chain orientation but with different surface shapes, where the arrows mark topological changes. The second row shows the DD and ID descriptors. Note that DD is not sensitive to shape deformation with topological changes, so four histograms are almost consistent; in contrast, ID is sensitive to topological changes.