Skip to main content

Table 2 Long range contribution to the B 22 values at 300 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 0.3(0.0) 0.1(0.0) 0.3(0.0) 0.1(0.0) 0.3(0.0) 0.1(0.0) 0.3 0.1
+1 -1 -0.3(0.0) -0.1(0.0) -0.3(0.0) 0.1(0.0) 0.3(0.0) 0.1(0.0) -0.3 -0.1
+5 +5 6.4(0.0) 3.3(0.0) 6.6(0.1) 3.5(0.0) 6.7(0.0) 3.6(0.0) 7.4 4.0
+5 -5 -9.4(0.0) -3.7(0.0) -9.6(0.2) -3.9(0.1) -9.7(0.1) 4.0(0.1) -11.6 -4.6
+10 +10 18.1(0.0) 11.4(0.0) 18.8(0.1) 12.0(0.1) 19.4(0.1) 12.6(0.1) 4.2 12.8
+10 -10 -97.6(0.7) -18.4(0.1) -98.1(0.4) -19.0(0.1) -98.9(0.7) -19.6(0.1) -72.4 -22.0
  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 set to one or two Debye lengths (1/ κ), see manuscript for details. B22 values are given in unit of (mol mL g -2) x 10 4 with standard deviations in parentheses.