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Heuristic energy-based cyclic peptide design

Fig 9

Structure predictions for macrocycles previously deposited in the PDB.

The best predictions (green) from the low-energy cluster centers are aligned to the PDB structures (orange), with RMSDs shown. PDB structures from the 2017 [13] and 2020 [25] Rosetta design papers are labeled in blue and black, respectively, and all others in pink.

Fig 9

doi: https://doi.org/10.1371/journal.pcbi.1012290.g009