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. Author manuscript; available in PMC: 2011 Nov 25.
Published in final edited form as: J Phys Chem B. 2010 Oct 28;114(46):15180–15190. doi: 10.1021/jp1046062

Table 1.

Diffusion constant distribution methods

Method Number Method Description
1 Diffusion coefficients of ions are set to its bulk values throughout the space accessible by ions
2 Diffusion coefficients for ions in its accessible space are set as a function of distance from the heavy (non hydrogen) atoms of the protein. The form of dependency was calculated from the work of Makarov et al. 24
3 Hydrodynamic approximation9
4 Superposition of method 2 and 3