Clustering density analysis & representative configuration
DBSCAN clustering results showing the positional density of GAG ligands on the protease.
| Cluster 1 Population: | 14 structures |
| Cluster 2 Population: | 9 structures |
| Cluster 3 Population: | 5 structures |
Binding Poses: these clusters correspond directly to different localized binding poses on the cathepsin surface.
Contains 3 molecular dynamics representatives corresponding to dynamic binding poses.
Contains 3 molecular dynamics representatives corresponding to dynamic binding poses.
Contains 3 molecular dynamics representatives corresponding to dynamic binding poses.