Ultra-Fast Evaluation of Protein Energies Directly from Sequence
Figure 10
Distribution of the Energies of the Top 100 Sequences from Direct Design and CE Design
The best solutions from CE design were modeled and repacked using the direct method for comparison purposes. Thus, the reported energy is that computed using the direct method for both cases. The best sequence found with CE design is significantly better than the best one from direct design. Also, the ensemble of best sequences found with CE is significantly more stable than that from direct design. This indicates that its greater speed allows CE design to reach and sample a lower-energy sequence space.