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Table 2 RMSD and correlation coefficients (r) between calculated and experimental values using all available data (all) and the leave-one-out cross validation technique (loo)

From: Identification of DNA-binding protein target sequences by physical effective energy functions: free energy analysis of lambda repressor-DNA complexes.

  all loo
  rmsd r    rmsd r
MM/DDDC-OONS    F(3,48) P   
1r 0.990 0.538 6.527 < 0.001 1.086 0.406
2r 0.886 0.656 12.108 < 0.001 0.967 0.575
4r 0.857 0.684 14.081 < 0.001 0.926 0.619
8r 0.969 0.673 13.253 < 0.001 0.943 0.600
MM/DDDC-OONS (+HB)    F(4,47) P   
1r 0.986 0.543 4.923 0.002 1.109 0.375
2r 0.875 0.667 9.420 < 0.001 0.967 0.576
4r 0.836 0.703 11.471 < 0.001 0.918 0.629
8r 0.838 0.701 11.332 < 0.001 0.922 0.624
MM/DDDC-HP    F(4,47) P   
1r 0.863 0.678 10.007 < 0.001 0.954 0.591
2r 0.803 0.730 13.416 < 0.001 0.890 0.658
4r 0.850 0.690 10.695 < 0.001 0.944 0.601
8r 0.840 0.699 11.243 < 0.001 0.933 0.614
MM/DDDC-HP (+HB)    F(5,46) P   
1r 0.857 0.684 8.089 < 0.001 0.967 0.578
2r 0.783 0.745 11.500 < 0.001 0.888 0.662
4r 0.805 0.728 10.369 < 0.001 0.903 0.645
8r 0.791 0.739 11.099 < 0.001 0.889 0.659
MM/GBSA    F(5,46) P   
  0.992 0.664 7.258 < 0.001 1.109 0.551
MM/GBSA (+HB)    F(6,45) P   
  0.782 0.746 9.413 < 0.001 0.928 0.630