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| | | <center>dn paper-2017, BFochtman, WJAllen</center> | | | <center>dn paper-2017, BFochtman, WJAllen</center> |
| − | | <center>MGE+TAN</center> | + | | <center>MGS+(-50)TAN</center> |
| | | <center>standard</center> | | | <center>standard</center> |
| | | <center>180.2</center> | | | <center>180.2</center> |
| Line 103: |
Line 103: |
| | | <center>dock6.8_merge_08.02.2017_defaults</center> | | | <center>dock6.8_merge_08.02.2017_defaults</center> |
| | |- | | |- |
| − | | <center>2018.01.30_LPrentis</center> | + | | <center>2018.04.25_LPrentis, YZhou</center> |
| − | | <center>MGS+(-50)TAN</center> | + | | <center>MGE+FPS</center> |
| | | <center>standard</center> | | | <center>standard</center> |
| − | | <center>587.1</center> | + | | <center>141.2</center> |
| − | | <center>37.3</center> | + | | <center>21.7</center> |
| − | | <center>81.9</center> | + | | <center>71.8</center> |
| − | | <center>67.2</center> | + | | <center>58.8</center> |
| − | | <center>53.2</center> | + | | <center>45.8</center> |
| − | | <center>14,711.7</center> | + | | <center>3,243.7</center> |
| − | | <center>dock6.8_merge_08.02.2017_defaults</center> | + | | <center>dock6.9_merge_2018.04.09_active_branch</center> |
| | |- | | |- |
| Date, Author
|
Scoring Function
|
Sampling Method
|
Average # Built
|
Average # Unique
|
% Chem Identity Built
|
% Pose Identity Built
|
% Pose Identity Unique
|
Timing (s)
|
dn DOCK Version
|
| dn paper-2017, BFochtman, WJAllen
|
SGE
|
standard
|
169.6
|
18.2
|
72.4
|
40.6
|
27.9
|
3,317
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| dn paper-2017, BFochtman, WJAllen
|
FPS
|
standard
|
182.1
|
17.1
|
72.5
|
43.9
|
34.5
|
2,995
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| dn paper-2017, BFochtman, WJAllen
|
SGE+FMS
|
standard
|
162.8
|
18.1
|
73.6
|
48.4
|
43.1
|
2,990
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| dn paper-2017, BFochtman, WJAllen
|
MGS+(-50)TAN
|
standard
|
180.2
|
19.8
|
84.9
|
51.1
|
38.5
|
14,080
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| dn paper-2017, BFochtman, WJAllen
|
MGE+FPS
|
standard
|
149.7
|
18.2
|
73.9
|
46.0
|
36.3
|
3,327
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| dn paper-2017, BFochtman, WJAllen
|
MGE+FPS
|
enhanced
|
636.7
|
38.7
|
83.3
|
57.3
|
46.8
|
20,637
|
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
|
| 2017.09.26_LPrentis
|
MGE+FPS
|
standard
|
140.3
|
17.6
|
73.9
|
58.0
|
47.5
|
2,537.8
|
dock6.8_merge_08.02.2017_defaults
|
| 2017.09.26_LPrentis
|
MGE+FPS
|
enhanced
|
587.1
|
37.3
|
81.9
|
67.2
|
53.2
|
14,711.7
|
dock6.8_merge_08.02.2017_defaults
|
| 2018.04.25_LPrentis, YZhou
|
MGE+FPS
|
standard
|
141.2
|
21.7
|
71.8
|
58.8
|
45.8
|
3,243.7
|
dock6.9_merge_2018.04.09_active_branch
|
