FIGURE 1.
Energy as a function of RMSD for decoys generated using position-restrained dynamics together with replica-exchange molecular dynamics for five different systems (rows). All-atom KB, coarse-grained KB, and Rosetta energies are shown in the left, middle, and right columns, respectively. In each case, a funnel shape toward the native structure (white circle) is seen, characteristic of a scoring function that is effective at distinguishing near-native structures from less native-like structures.
