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. Author manuscript; available in PMC: 2022 Jun 24.
Published in final edited form as: J Chem Theory Comput. 2022 Apr 28;18(5):3218–3230. doi: 10.1021/acs.jctc.1c01290

Figure 7:

Figure 7:

Clustering convergence for weighted shape-GMM on the PUBS 1 PUBS ANM system. The average clustering overlap with ground truth and log likelihood per frame of the are plotted as a function of training set. Each training set was chosen randomly from the 10K total frames. This procedure was repeated 10 times to compute the average and 90% confidence interval (shaded region).