Molecular similarity analysis functions/coefficients

Since large-scale conformational transitions are essential to function, it is expected that molecular motors have intrinsic structural flexibility that facilitates these transitions. This is best illustrated through normal mode analysis (NMA), which was carried out using our implementation of the block normal mode approach. The results shown in Figure 2.2 are qualitatively similar to the observations made in many large biomolecular assanbUes, i.e., there is a large degree of correlation between the motions in the first few low-frequency modes and the structural difference between two functional states. This is shown more quantitatively with two conunonly used descriptors, the involvement coefficients and the cumulative involvement coefficients (C/ ),... 

---