Table 3 Statistics of the lowest-energy-related conformations for LGA, LPSO and DGLRDPSO
From: Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking
| Â | LGA | LPSO | DGL RDPSO |
|---|---|---|---|
Number of test cases which can identify the correct binding conformation with the lowest binding free energy as the criterion | 181 | 187 | 195 |
Average RMSD of the conformations with the lowest binding free energy for all test cases (Ã…) | 2.10 | 2.05 | 1.93 |
Average rank of the conformations with the lowest successful binding free energy for all test cases | 7.54 | 8.14 | 6.42 |