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Table 1 Long range contribution to the B 22 value at 5 mM ionic strength for the two soft-sphere systems

From: Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

z i z j B 22 ( E P 100 A )   B 22 ( E P 200 A )    B 22 ( E P 100 A + DHP )   B 22 ( A )
(e l ) (e l ) 1/κ 2/κ 1/κ 2/κ 1/κ 2/κ 1/κ 2/κ
+1 +1 0.0 0.0 13.0(0.0) 0.0 29.0(0.0) 14.1(0.0) 30.4 16.1
+1 -1 0.0 0.0 -13.3(0.0) 0.0 -29.4(0.0) -14.2(0.0) -30.7 -16.2
+5 +5 0.0 0.0 261.5(0.1) 0.0 636.9(0.1) 339.3(0.2) 675.8 397.4
+5 -5 0.0 0.0 -432.7(0.3) 0.0 -853.8(0.3) -367.8(0.3) -878.0 -429.8
+10 +10 0.0 0.0 603.6(0.2) 0.0 1916.9(0.2) 1216.5(0.7) 1490.0 1428.1
+10 -10 0.0 0.0 -5037.6(9.7) 0.0 -7338.9(10.5) -1682.2(1.7) -4738.0 -1867.6
  1. Computed values with electrostatic potential grids only (EP) are compared to the computed values with electrostatic potential grids plus the Debye-Hückel potential (EP+DHP) and to the analytical values (A). Lower bounds to integrate the B22 were assigned as one or two Debye lengths (1/ κ), see manuscript for details. The B22 values are given in units of (mol mL g -2) x 10 4 with standard deviations in parentheses.