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. 2013 Jan 7;110(4):1197–1202. doi: 10.1073/pnas.1221231110

Fig. 6.

Fig. 6.

Water–ligand force acf Inline graphic for different clamping positions Inline graphic. Far away from the pocket (Inline graphic Å) and at Inline graphic the acf decays relatively quickly on a time scale of a few picoseconds. For values around Inline graphic Å, where pocket occupancy fluctuations are slow, the force acf decays 1 order of magnitude slower. This behavior is magnified in the Inset.