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Example Calculations for Mixture Scores |
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| 1. Obtain Docking Scores |
Protein 1 |
Protein 2 |
|
|
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| Drug 1 |
-5.5 |
-2.1 |
| Drug 2 |
-3.1 |
-2.2 |
| Drug 3 |
-1.2 |
-4.3 |
| 2. Assign binary values using threshold of -3.0 |
Protein 1 |
Protein 2 |
| Drug 1 |
1 |
0 |
| Drug 2 |
1 |
0 |
| Drug 3 |
0 |
1 |
| 3. Sum binary values |
Protein 1 |
Protein 2 |
| Mixture 1 (Drug 1 + Drug 2) |
2 |
0 |
| Mixture 2 (Drug 2 + Drug 3) |
1 |
1 |
Boik and Newman BMC Pharmacology 2008 8:13 doi:10.1186/1471-2210-8-13 |
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