Difference between revisions of "AutoDock4 Benchmark Results"

Latest revision as of 21:45, 10 August 2020

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

@@ Line 7: / Line 7: @@
 | <center>'''DOCK Version'''</center>
 | <center>'''Notes'''</center>
-|-
-| <center>2020.7.N/A, Laverty</center>
-| <center>GA=10 Grid_size(x=22.5A, y=22.5A, z=22.5A,</center>
-| <center>Success 58.1% Scoring 17.8% Sampling 24.1%</center>
-| <center></center>
-| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
-| <center>Protein am1bcc Ligand Gastieger-</center>
 |-
@@ Line 21: / Line 12: @@
 | <center>GA=10 Grid_size(x=15A, y=15A, z=15A,</center>
 | <center>Success 65.7% Scoring 0% Sampling 34.3%</center>
-| <center>263</center>
+| <center>152.39</center>
 | <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 | <center>Nonintegral charges fixed, Protein am1bcc Ligand Gastieger</center>