Difference between revisions of "AutoDock4 Benchmark Results"
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| + | | <center>2020.5.20, Laverty</center> | ||
| + | | <center>GA=10 Grid_size(x=15A, y=15A, z=15A,</center> | ||
| + | | <center>Success 65.7% Scoring 0% Sampling 34.3%</center> | ||
| + | | <center>152.39</center> | ||
| + | | <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | ||
| + | | <center>Nonintegral charges fixed, Protein am1bcc Ligand Gastieger</center> | ||
| + | |- | ||
| + | |||
| + | | <center>2020.3.30, 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>Protein Gastieger Ligand Gastieger</center> | ||
| + | |- | ||
| − | | <center>2020. | + | | <center>2020.4.8, Laverty</center> |
| − | | <center>GA= | + | | <center>GA=50 Grid_size(x=15A, y=15A, z=15A,</center> |
| − | | <center>Success | + | | <center>Success 66.54% Scoring 19.65% Sampling 13.81%</center> |
| − | | <center> | + | | <center>798.35</center> |
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | | <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | ||
| − | | <center> | + | | <center>Protein Gastieger Ligand Gastieger</center> |
|- | |- | ||
| − | | <center>2020. | + | | <center>2020.4.16, Laverty</center> |
| − | | <center>GA= | + | | <center>GA=50 Grid_size(x=15A, y=15A, z=15A,</center> |
| − | | <center>Success | + | | <center>Success 66.44% Scoring 20.23% Sampling 13.33%</center> |
| − | | <center> | + | | <center>789.15</center> |
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | | <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | ||
| − | | <center> | + | | <center>Protein AM1BCC Ligand Gastieger</center> |
|- | |- | ||
| Line 29: | Line 44: | ||
| <center>GA=10 Grid_size(x=15A, y=15A, z=15A,</center> | | <center>GA=10 Grid_size(x=15A, y=15A, z=15A,</center> | ||
| <center>Success 64.6% Scoring 0% Sampling 35.4%</center> | | <center>Success 64.6% Scoring 0% Sampling 35.4%</center> | ||
| − | | <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> |
|- | |- | ||
| Line 37: | Line 52: | ||
| <center>GA=10 Grid_size(x=22.5A, y=22.5A, z=22.5A,</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>Success 58.1% Scoring 17.8% Sampling 24.1%</center> | ||
| − | | <center> | + | | <center>152.00</center> |
| + | | <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | ||
| + | | <center>Protein Amber Ligand Gasteiger</center> | ||
| + | |- | ||
| + | |||
| + | | <center>2020.5.19, Laverty</center> | ||
| + | | <center>GA=10 Grid_size(DOCK6 grid size)</center> | ||
| + | | <center>Success 28.38% Scoring 0% Sampling 71.62%</center> | ||
| + | | <center>72.37</center> | ||
| <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | | <center>docked AutoDock4.2.6, rescored DOCK6.9</center> | ||
| − | | <center> | + | | <center>default DOCK grid size, Protein Amber Ligand Gastieger</center> |
|- | |- | ||
Latest revision as of 20:45, 10 August 2020
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