Figure 9
From: Validating clustering of molecular dynamics simulations using polymer models
Sampled structures from the FG-nup simulations. Structures shown are representatives from clusters with the smallest (σ small ) and largest (σ large ) median scaling parameters obtained from applying spectral clustering with k = 15. Representatives for each cluster were obtained by selecting the structure which had the smallest sum of intracluster distances. These structures clearly show that smaller scaling parameters are associated with collapsed meta-stable states for all three FG-nups studied, while large scaling parameters are associated with extended transition states.