Appendix 1—figure 3. Estimated Na+→K+free energy perturbations for PDBs 4NTW (left graphs) and 2QTS (right graphs) with modified ion parameters.Results in panels A, B and C are as in Figure 2—figure supplement 1B,C and D, respectively, but with change in ion-carboxylate parameters to that of Marinelli et al. (2014), with rmin = 3.19 Å for Na+ and rmin = 3.52 Å for K+, instead of the usual mixing rules for CHARMM27*.DOI: http://dx.doi.org/10.7554/eLife.24630.013
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