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. 2018 Oct 18;14(11):5511–5526. doi: 10.1021/acs.jctc.8b00725

Figure 5.

Figure 5

tICA analysis of the RE simulations for (a) MIL-53(Al) and (b) CAU-13. Amplitudes of the most important contributions in the first tIC eigenvector are displayed. For MIL-53(Al), the volume (blue) turns out to be a dominant order parameter, while in CAU-13, the dihedral angles (orange) are the rate limiting order parameters.