AutoDock4 Benchmark Results

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Date, Author
Experiment
Results
Timing (s)
DOCK Version
Notes
2020.5.20, Laverty
GA=10 Grid_size(x=15A, y=15A, z=15A,
Success 65.7% Scoring 0% Sampling 34.3%
152.39
docked AutoDock4.2.6, rescored DOCK6.9
Nonintegral charges fixed, Protein am1bcc Ligand Gastieger
2020.3.30, Laverty
GA=10 Grid_size(x=15A, y=15A, z=15A,
Success 63.95% Scoring 12.94% Sampling 23.11%
213.44
docked AutoDock4.2.6, rescored DOCK6.9
Protein Gastieger Ligand Gastieger
2020.4.8, Laverty
GA=50 Grid_size(x=15A, y=15A, z=15A,
Success 66.54% Scoring 19.65% Sampling 13.81%
798.35
docked AutoDock4.2.6, rescored DOCK6.9
Protein Gastieger Ligand Gastieger
2020.4.16, Laverty
GA=50 Grid_size(x=15A, y=15A, z=15A,
Success 66.44% Scoring 20.23% Sampling 13.33%
789.15
docked AutoDock4.2.6, rescored DOCK6.9
Protein AM1BCC Ligand Gastieger
2020.5.19, Laverty
GA=10 Grid_size(x=15A, y=15A, z=15A,
Success 64.6% Scoring 0% Sampling 35.4%
151.22
docked AutoDock4.2.6, rescored DOCK6.9
default grid size, Protein am1bcc Ligand Gastieger
2020.7.30, Laverty
GA=10 Grid_size(x=22.5A, y=22.5A, z=22.5A,
Success 58.1% Scoring 17.8% Sampling 24.1%
152.00
docked AutoDock4.2.6, rescored DOCK6.9
Protein Amber Ligand Gasteiger
2020.5.19, Laverty
GA=10 Grid_size(DOCK6 grid size)
Success 28.38% Scoring 0% Sampling 71.62%
72.37
docked AutoDock4.2.6, rescored DOCK6.9
default DOCK grid size, Protein Amber Ligand Gastieger