Table 3. Docking Benchmark 3.0 results summary for failures.
| PDB | Difficulty | type | N5 | µ (N5) [σ(N5)] | P success | Irmsd | Classification | PDB | Difficulty | type | N5 | µ (N5) [σ(N5)] | P success | Irmsd | Classification |
| 1K74 | rigid-body | O | 2 | 2.5 [1.1] | 0.20 | 1.63 | RB sampling | 1EER | difficult | O | 1 | 0.9 [1.0] | 0.02 | 2.23 | BB sampling |
| 1Z5Y | rigid-body | O | 2 | 2.4 [1.1] | 0.16 | 1.14 | BB sampling | 1FAK | difficult | O | 1 | 0.9 [0.9] | 0.01 | 3.30 | discrimination |
| 1WEJ | rigid-body | A | 2 | 2.2 [1.1] | 0.14 | 2.60 | discrimination | 1TMQ | rigid-body | E | 1 | 0.8 [0.9] | 0.01 | 1.47 | RB sampling |
| 1HE8 | medium | O | 2 | 2.2 [1.1] | 0.13 | 3.19 | BB sampling | 1I4D | rigid-body | O | 1 | 0.8 [0.9] | 0.01 | 3.13 | RB sampling |
| 1ATN | difficult | O | 2 | 2.1 [1.2] | 0.12 | 1.53 | RB sampling | 1RLB | rigid-body | O | 1 | 0.8 [0.9] | 0.01 | 3.88 | RB sampling |
| 2HQS | rigid-body | O | 2 | 2.1 [1.2] | 0.13 | 2.69 | BB sampling | 1Z0K | rigid-body | O | 1 | 0.7 [0.8] | 0.00 | 3.56 | BB sampling |
| 1JMO | difficult | O | 2 | 2.1 [1.2] | 0.11 | 2.82 | BB sampling | 1EFN | rigid-body | O | 1 | 0.7 [0.8] | 0.00 | 3.58 | BB sampling |
| 2O8V | rigid-body | E | 2 | 2.1 [1.2] | 0.12 | 3.62 | BB sampling | 1I9R | rigid-body | AB | 1 | 0.6 [0.8] | 0.00 | 0.52 | RB sampling |
| 1J2J | rigid-body | O | 2 | 2.0 [1.4] | 0.14 | 1.10 | BB sampling | 1AZS | rigid-body | O | 0 | 0.5 [0.9] | 0.01 | 5.41 | RB sampling |
| 1NSN | rigid-body | AB | 2 | 2.0 [1.2] | 0.10 | 1.15 | discrimination | 2B42 | rigid-body | E | 0 | 0.4 [0.6] | 0.00 | 5.85 | RB sampling |
| 1K5D | medium | O | 2 | 2.0 [1.1] | 0.09 | 2.87 | BB sampling | 2BTF | rigid-body | O | 0 | 0.3 [0.6] | 0.00 | 4.44 | BB sampling |
| 1FQ1 | difficult | E | 2 | 1.7 [1.3] | 0.08 | 2.18 | RB sampling | 1KKL | medium | E | 0 | 0.2 [0.5] | 0.00 | 4.60 | RB sampling |
| 2AJF | rigid-body | O | 2 | 1.7 [1.1] | 0.06 | 1.23 | RB sampling | 1F51 | rigid-body | O | 0 | 0.2 [0.5] | 0.00 | 12.35 | BB sampling |
| 1E96 | rigid-body | O | 1 | 1.6 [1.1] | 0.05 | 3.38 | BB sampling | 1KAC | rigid-body | O | 0 | 0.1 [0.5] | 0.00 | 4.01 | BB sampling |
| 1I2M | medium | O | 1 | 1.5 [1.0] | 0.03 | 2.68 | BB sampling | 1MLC | rigid-body | A | 0 | 0.1 [0.4] | 0.00 | 4.31 | BB sampling |
| 1QFW | rigid-body | AB | 1 | 1.5 [1.1] | 0.03 | 1.93 | RB sampling | 1S1Q | rigid-body | O | 0 | 0.1 [0.3] | 0.00 | 4.37 | BB sampling |
| 1GLA | rigid-body | O | 2 | 1.5 [1.1] | 0.05 | 2.98 | BB sampling | 1M10 | medium | E | 0 | 0.0 [0.0] | 0.00 | 4.46 | BB sampling |
| 1AKJ | rigid-body | O | 1 | 1.2 [1.0] | 0.02 | 1.48 | BB sampling | 1A2K | rigid-body | O | 0 | 0.0 [0.0] | 0.00 | 5.20 | BB sampling |
| 1EZU | rigid-body | E | 1 | 1.2 [1.0] | 0.02 | 2.82 | RB sampling | 1R8S | difficult | O | 0 | 0.0 [0.0] | 0.00 | 5.21 | BB sampling |
| 1F34 | rigid-body | E | 1 | 1.2 [1.0] | 0.02 | 4.00 | RB sampling | 1GP2 | medium | O | 0 | 0.0 [0.0] | 0.00 | 5.23 | BB sampling |
| 1GRN | medium | O | 1 | 1.1 [1.0] | 0.02 | 1.24 | BB sampling | 1IBR | difficult | O | 0 | 0.0 [0.0] | 0.00 | 5.46 | RB sampling |
| 1NW9 | medium | E | 1 | 1.1 [1.0] | 0.02 | 2.33 | BB sampling | 1BKD | difficult | O | 0 | 0.0 [0.0] | 0.00 | 5.62 | BB sampling |
| 2H7V | medium | O | 1 | 1.1 [1.0] | 0.02 | 3.65 | BB sampling | 2OT3 | difficult | O | 0 | 0.0 [0.0] | 0.00 | 6.00 | BB sampling |
| 1GHQ | rigid-body | O | 1 | 1.0 [1.0] | 0.01 | 2.69 | BB sampling | 1FQJ | rigid-body | O | 0 | 0.0 [0.0] | 0.00 | 6.48 | RB sampling |
| 2NZ8 | medium | O | 1 | 1.0 [1.0] | 0.02 | 3.91 | BB sampling | 1PXV | difficult | E | 0 | 0.0 [0.0] | 0.00 | 9.49 | BB sampling |
| 1IB1 | medium | O | 1 | 1.0 [1.0] | 0.01 | 3.95 | discrimination | 1H1V | difficult | O | 0 | 0.0 [0.0] | 0.00 | 9.96 | BB sampling |
| 1K4C | rigid-body | AB | 1 | 1.0 [1.1] | 0.02 | 2.15 | BB sampling | 1Y64 | difficult | O | 0 | 0.0 [0.0] | 0.00 | 13.70 | discrimination |
| 1EWY | rigid-body | E | 1 | 1.0 [1.1] | 0.02 | 3.01 | BB sampling | 1DQJ | rigid-body | A | 0 | 0.0 [0.2] | 0.00 | 6.15 | BB sampling |
| 2PCC | rigid-body | E | 1 | 1.0 [0.9] | 0.01 | 3.38 | discrimination | 1ACB | medium | E | 0 | 0.0 [0.1] | 0.00 | 4.56 | RB sampling |
| 1KLU | rigid-body | O | 0 | 0.0 [0.1] | 0.00 | 8.16 | BB sampling |