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. 2023 Dec 19;20(1):224–238. doi: 10.1021/acs.jctc.3c01015

Figure 4.

Figure 4

Tube formation reproducibility results from Screening Step 3 showing the tube fraction of v3 sets, with (a) combined S/T sets and S-only sets using (b) C2 and C3 and with (c) C4 and C5. (d) Average tube fraction for the systems with ≥600 FF molecules. Snapshots of the structures formed with (e) SC3/SC3-Q3 and (f) SC4/SC4-Q4, with the number of FF peptides indicated in the inset. FF molecules follow the color coding in Figure 1, water and ions are removed for clarity, and the simulation box is shown in green.