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. 2021 Feb 22;8:619381. doi: 10.3389/fmolb.2021.619381

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Copyright © 2021 Mahmood, Poma and Okazaki.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Principal component analysis (PCA) of the Pacsin1 structural fluctuations. For (A) All-atom (B) EN-MARTINI (C) Gō-MARTINI (cutoff 5.0 Å and λ = 1.0) results, the first principal component (PC1) eigenvector on the Pacsin1 structure, the eigenvalue profile along the principal component modes, and mapping of the Pacsin1 conformations on the PC1-PC2 surface are shown. Colorbars in the PC1-PC2 mapping represent the time progress in nanoseconds. In (D), mapping of the Pacsin1 conformations on the PC1-PC2 surface obtained from PCA using all three simulations is shown.