Difference between revisions of "AutoDock4 Benchmark Results"

Revision as of 15:34, 10 August 2020

Date, Author	Experiment	Results	Timing (s)	DOCK Version	Notes
2020.7.N/A, Laverty	GA=10 Grid_size(x=22.5A, y=22.5A, z=22.5A,	Success 58.1% Scoring 17.8% Sampling 24.1%		docked AutoDock4.2.6, rescored DOCK6.9	Protein am1bcc Ligand Gastieger-
2020.5.20, Laverty	GA=10 Grid_size(x=15A, y=15A, z=15A,	Success 65.7% Scoring 0% Sampling 34.3%	263	docked AutoDock4.2.6, rescored DOCK6.9	Nonintegral charges fixed, Protein am1bcc Ligand Gastieger
2020.5.20, 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	Nonintegral charges fixed, Protein Gastieger 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 24: / Line 24: @@
 | <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 | <center>Nonintegral charges fixed, Protein am1bcc Ligand Gastieger</center>
+|-
+| <center>2020.5.20, Laverty</center>
+| <center>GA=10 Grid_size(x=15A, y=15A, z=15A,</center>
+| <center>Success 63.95% Scoring 12.94% Sampling 23.11%</center>
+| <center>213.44</center>
+| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
+| <center>Nonintegral charges fixed, Protein Gastieger Ligand Gastieger</center>
 |-