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| Line 226: |
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| | | <center>2015.11.01, Yuchen</center> | | | <center>2015.11.01, Yuchen</center> |
| | | <center>PR, desc_1Grid-10VO+5HUN</center> | | | <center>PR, desc_1Grid-10VO+5HUN</center> |
| | + | | <center>-</center> |
| | + | | <center>-</center> |
| | + | | <center>DOCK6.8.2015.10.30</center> |
| | + | | <center>-</center> |
| | + | |- |
| | + | |
| | + | | <center>2015.11.04, Yuchen</center> |
| | + | | <center>Rescoring, Hawkins_GBSA</center> |
| | | <center>-</center> | | | <center>-</center> |
| | | <center>-</center> | | | <center>-</center> |
Revision as of 13:53, 4 November 2015
ABBREVIATIONS:
PR = Pose Reproduction
VS = Virtual Screening
desc = Descriptor Score
Grid = Grid Score
MG = Multi Grid Score
Ph4 = Pharmacophore Score
HUN = Hungarian RMSD Score
TAN = Tanimoto Score
VO = Volume Overlap Score
Example for combination of scoring functions: desc_1Grid+5Ph4-10VO means descriptor score using combination "Descriptor Score = 1 * Grid Score + 5 * Pharmacophore Socre - 10 * Volume Overlap Score"
| Date, Author
|
Experiment
|
Results
|
Timing
|
DOCK Version
|
Notes
|
| 2015.11.01, Yuchen
|
PR, Grid
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, Ph4
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_Ph4
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_VO
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+1Ph4
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+10Ph4
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-1VO
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-20VO
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-1TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-20TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+1HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+10HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+1Ph4-1VO
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+5Ph4-10VO
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+1Ph4-1TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+5Ph4-10TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+1Ph4+1HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid+5Ph4+5HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-1VO-1TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-10VO-10TAN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-1VO+1HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.01, Yuchen
|
PR, desc_1Grid-10VO+5HUN
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
| 2015.11.04, Yuchen
|
Rescoring, Hawkins_GBSA
|
-
|
-
|
DOCK6.8.2015.10.30
|
-
|
