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Performance of the protocols submitted at stage 2 of the D3R competition
| Dataset | Protocol | ID | R | MUE (kcal mol −1) |
|---|---|---|---|---|
| Set1 | Full | 07tpe | 0.13 ± 0.02 | 2.20 ± 0.08 |
| Same charge | olv52 | 0.3 ± 0.02 | 1.41 ± 0.08 | |
| Full scaled | inspj | 0.12 ± 0.02 | 2.32 ± 0.09 | |
| Same charge scaled | 4botu | 0.13 ± 0.02 | 2.4 ± 0.1 | |
| Set2 | Full | qt771 | − 0.44 ± 0.02 | 3.79 ± 0.1 |
| Same charge | 0jz8u | 0.54 ± 0.03 | 1.67 ± 0.08 | |
| Full scaled | jzrt5 | 0.41 ± 0.06 | 1.65 ± 0.09 | |
| Same charge scaled | c1nbt | 0.41 ± 0.05 | 1.56 ± 0.1 |
