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Table 8 Number of correct predictions of every model. Parenthetical data correspond to the number of prediction separated by less than 0.3 kcal/mol from the experimental data.

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

  ΔG calc < 1.0, ΔG exp < 1.0 ΔG calc > 1.0, ΔG exp > 1.0 ΔG calc 1.0, ΔG exp 1.0, D < 0.5 tot (D < 0.5)
MM/DDDC-OONS (1r) 10 23 2 35 (7)
MM/DDDC-OONS (2r) 15 24 0 39 (11)
MM/DDDC-OONS (4r) 16 22 1 39 (13)
MM/DDDC-OONS (8r) 14 23 1 38 (16)
MM/DDDC-OONS(+HB) (1r) 8 23 2 33 (9)
MM/DDDC-OONS(+HB) (2r) 14 23 1 38 (8)
MM/DDDC-OONS(+HB) (4r) 17 21 1 39 (10)
MM/DDDC-OONS(+HB) (8r) 15 22 2 39 (13)
MM/DDDC-HP (1r) 11 23 1 35 (12)
MM/DDDC-HP (2r) 16 21 4 41 (11)
MM/DDDC-HP (4r) 13 21 1 35 (12)
MM/DDDC-HP (8r) 13 24 0 37 (12)
MM/DDDC-HP(+HB) (1r) 12 23 1 36 (11)
MM/DDDC-HP(+HB) (2r) 15 22 3 40 (11)
MM/DDDC-HP(+HB) (4r) 13 21 2 36 (10)
MM/DDDC-HP(+HB) (8r) 16 24 1 38 (13)
MM/GBSA 13 24 1 38 (10)
MM/GBSA(+HB) 13 24 2 39 (13)