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. Author manuscript; available in PMC: 2021 Nov 10.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 13;16(11):6763–6775. doi: 10.1021/acs.jctc.0c00273

Figure 5:

Figure 5:

Steady state estimation for NTL9 protein-folding using haMSMs with PCA and VAMP microbins. Shown is the haMSM-estimated SS flux for NTL9 (low-friction) protein folding at tmol = 0.5, 0.63, 1.0, 1.5, 2.5, 4.0ns (colored squares) as a function of the number of haMSM microbins, and SS flux from WE validation set (shaded blue horizontal bar). A Principal Component Analysis (PCA) dimensionality reduction. B VAMP dimensionality reduction.