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The Dynamics of Ca²⁺ Ions within the Solvation Shell of Calbindin D9k

Figure 2

The variation of the Ca²⁺ ion's diffusion coefficient in the successive shells of Apo-CaB.

The bulk columns (either from simulations or measured experimentally) refer to Ca²⁺ in protein-free solutions. * The calculated value is comparable to that of a globular protein of the same size [24], [25]. ** The calculated value is comparable with the experimental diffusion coefficient of free Ca²⁺ ions [26].

doi: https://doi.org/10.1371/journal.pone.0014718.g002