Difference between revisions of "AutoDock4 Benchmark Results"

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| <center></center>
 
| <center></center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
| <center>-</center>
+
| <center>Protein am1bcc Ligand Gastieger-</center>
 
|-
 
|-
  
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| <center>263</center>
 
| <center>263</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
| <center>Nonintegral charges fixed</center>
+
| <center>Nonintegral charges fixed, Protein am1bcc Ligand Gastieger</center>
 
|-
 
|-
  
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| <center>151.22</center>
 
| <center>151.22</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
| <center>default grid size</center>
+
| <center>default grid size, Protein am1bcc Ligand Gastieger</center>
 
|-
 
|-
  
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| <center>152.00</center>
 
| <center>152.00</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
| <center>-</center>
+
| <center>Protein Amber Ligand Gasteiger</center>
 
|-
 
|-
  
Line 47: Line 47:
 
| <center>72.37</center>
 
| <center>72.37</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
 
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center>
| <center>default grid size</center>
+
| <center>default DOCK grid size, Protein Amber Ligand Gastieger</center>
 
|-
 
|-

Revision as of 15:28, 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
2020.5.19, 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