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Table 1 Self energies

From: Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii

model

RMSD

corr. coef.

GBR6 SAS

10.0

0.995

LC5 SAS

3.5

0.996

LC9 SAS

3.5

0.996

GBR6 MS

57.6

0.949

LC5 MS

23.9

0.950

LC9 MS

22.7

0.955

  1. Comparison of self-energies computed using generalized Born radii from surface integrals and using the Poisson-Boltzmann equation. For each computational model (SAS stands for solvent accessible surface, MS stands for molecular surface, see text) the average root mean square difference (RMSD) (kJ/(q mol)) and the correlation coefficient are reported.