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Figure 10
Influence of the reference conformation on PETIMOT performance. (a) Number of samples per conformational collection for which PETIMOT-5folds predicted at least one acceptable motion, with LS below 0.2 (dark), 0.4 (mild) or 0.6 (light). The numbers of successful collections are 361 (4.92% of 7335 in total), 2174 (29.64%) and 4658 (63.50%), respectively. (b) Heatmap comparing the number of successful samples, with minimum LS below 0.6, for PETIMOT-5folds (y axis) and the NMA (x axis). The number of successful collections for both methods is 2822 (38.47% of 7335 in total). |

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