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Table 3 Calculated hydration free energies for various Mg2+ radii

From: Functional asymmetry in the lysyl-tRNA synthetase explored by molecular dynamics, free energy calculations and experiment

Radius (Ã…)

G polar

G np

G hydr calc

1.350

-486.25

1.53

-484.72

1.400

-468.89

1.53

-467.35

1.436

-457.13

1.47

-455.66

1.437

-456.81

1.47

-455.34

1.438

-456.49

1.47

-455.03

1.440

-455.86

1.47

-454.40

1.450

-452.72

1.47

-451.25