Predicting Protein Interactions by Brownian Dynamics Simulations

Figure 8

(a) Number of predicted near-native conformations versus electrostatics interaction energies within the test set. Conformations of which C_𝛼 RMSDs <5 Å compared to the crystal structure are regarded as predicted near-native conformations. (b) Sequence number of the first produced near-native conformations versus electrostatics interaction energies within the test set.

(a)

(b)