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. Author manuscript; available in PMC: 2021 Jun 9.
Published in final edited form as: J Chem Theory Comput. 2020 May 18;16(6):3910–3919. doi: 10.1021/acs.jctc.0c00145

Table 6:

Docking accuracy of multiple protein-ligand docking programs on the SB2012 set.

CDOCKERc Autodock v4.2.6 Autodock Vinad Autodock Vinae DOCK v6.7
accuracy(nativea) 0.569 (± 0.006f) 0.477 (± 0.009) 0.631 (±0.004) 0.642 (± 0.005) 0.553 (±0.005)
accuracy (randomb) 0.429 (± 0.007) 0.418 (±0.004) 0.532 (±0.004) 0.547 (±0.004)
a

Ligand native conformations are used as starting conformations.

b

Ligand random conformations are used as starting conformations.

c

500 trials are used in CDOCKER.

d

exhaustiveness = 8.

e

exhaustiveness = 20.

f

All uncertainties are estimated using 10 independent repeats.