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) |