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Rosetta:MSF: a modular framework for multi-state computational protein design

Fig 2

Performance of SSD and MSD on the NMR ensemble hIFABP.

enzdes (blue lines) was executed for 1000 runs i for each of the ten conformations in the ensemble. For each number of runs i, the value (dotted line) is the mean of the ten lowest-energy sequences (Eq 6). The corresponding value (solid line) is the mean recovery value deduced from the same sequences (Eq 5). MSF:GA:enzdes (orange lines) was carried out for 800 generations j on the whole ensemble using a population of 210 sequences. For each generation j, the value (dotted line) is the mean of the ten lowest-energy sequences of the corresponding population (Eq 7). The corresponding value (solid line) is the mean recovery value deduced from the same sequences (Eq 5).

doi: https://doi.org/10.1371/journal.pcbi.1005600.g002