Table 3

Data size for preprocessing.

Ligand

Atoms

Number of valid results

Coordinates


NADH

52

11,284

586,768

PIF

24

30,420

730,080

TCL

18

28,370

510,660

ETH

13

30,430

395,590


Total

100,504

2,223,098


The first column shows the ligand names. The second, the total number of atoms of each ligand. The third, the total number of valid docking results, and the last column shows the total number of the ligands’s atomic coordinates stored in the FReDD [36] repository.

Machado et al. BMC Genomics 2010 11(Suppl 5):S6   doi:10.1186/1471-2164-11-S5-S6

Open Data