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

Figure 2.

Figure 2

Entropies estimated by the IE (left) and C2 (right) methods by block averaging for the binding of three ligands to galectin-3 as a function of N from the 10 × 100 ns simulations. Note the logarithmic scale on the x-axis.