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. 2021 Mar 22;154(12):124104. doi: 10.1063/5.0037517

FIG. 8.

FIG. 8.

The potential of the mean force (PMF) as a function of the asphericity (Δ) of the loop and the distance between Ca2+ and the center of mass of the loop. The PMFs are plotted for four individual EF-hand loops from three types of sample systems: (a)–(d) Ca2+/CaM, (e)–(h) Ca2+/CaM/CaMKII, and (i)–(l) Ca2+/CaM/Ng. The color bar is scaled by kcal/mol, and the lowest PMF value is set to 0 kcal/mol.