Fig. 8.

Cluster analysis of the Top1B ligand bound complexes. (A) Top1B-BAT. (B) Top1B-BUR. (C) Top1B-ELU. The linear plot depicting the distribution of conformations (frames) over 150 ns of simulatuion. Close view of initial frame, centroid frame of the most populated cluster and 3D alignment of initial frame with centroid frame are presented below each linear plot from left to right. The total number of clusters and frames per cluster has been detailed in Supplementary Fig. S6. The colours in the time evolution linear plots represent the cluster to which a frame belongs at a given point of time. The representation of colouring scheme are same as described in Fig. 7.