Table 1 Example Calculations for Mixture Scores
1. Obtain Docking Scores | Protein 1 | Protein 2 |
|---|---|---|
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 |