Fig. 4. Best-match RMSDs for autoencoder-generated conformations of Q15 and Aβ40.
The average best-match RMSDs of 100-fold diluted test sets of (a) Q15 and (b) Aβ40, against generated sets at different sizes. The latter sizes are measured in multiples of the test size of each IDP (= 85,500 for Q15 and 112,000 for Aβ40). For run1, results are shown at sizes of the generated set ranging from the training size to 4×. For other MD runs, results are shown at 1×. In the inset of each panel, an IDP conformation and its generated best match, with an RMSD close to the average values at 1×, is compared.