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

Figure 1.

Figure 1

Running average of IE (left) and C2 (right) entropies for the binding of three ligands (O, M, and P) to galectin-3 as a function of the number of snapshots from the 10 × 100 ns simulations with a sampling frequency of 10 ps.