Fig. 31.

Four major conformational clusters of G1 identified from an SGMD simulation in explicit water (Lung et al 2001). These clusters were identified using all 500 conformations recorded during the 500 ps SGMD simulation. The conformations in conformational cluster (A) were similar to the starting conformation, whereas the conformations in the other three clusters were substantially different from the starting conformation, and exhibited circular open-chain backbone conformations lacking evidence of intramolecular interactions.