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. 2022 Jul 5;23(17):e202200175. doi: 10.1002/cphc.202200175

Figure 7.

Figure 7

A typical ASMD simulation is divided into 20 stages, as shown, and sampled from 100 trajectories per stage at a stretching velocity, vs , of 10 Å/ns. for the α‐helical peptide 1PEF. The solid black lines represent the work for each trajectory, W(ζti ), whereas the thick red curve represents the overall PMF, W , from Eq. 2.