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. 2021 Jul 13;17(8):5379–5391. doi: 10.1021/acs.jctc.1c00374

Figure 9.

Figure 9

Entropies estimated by the IE and C2 methods for the binding of phenol to ferritin, estimated from 10 × 10 ns simulations with a sampling frequency of 10 fs (left) and 10 × 100 ns simulations with a sampling of 10 ps (right). In both cases, the simulations are then divided into batches of different sizes. Note the logarithmic scale on the x-axis.