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 |
- 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.