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. 2015 Dec 3;55(12):2633–2643. doi: 10.1021/acs.jcim.5b00673

Figure 4.

Figure 4

Time series of the volume of the largest cavity detected by trj_cavity45 in selected plain MD simulations of AmelOBP14 with and without ligand EOL. Because cavity volumes fluctuate strongly between single snapshots, the data have been moving average smoothed with a window size of 20.