TABLE 1.
Binding energy vs. molecular weight of virtual screening results.
| Binding Affinity(kcal/mol) | −8 to −9 | −9 to −10 | −10 to −11 | −11 to −12 | −12 to −13 |
|---|---|---|---|---|---|
| Molecular Weight(Da) | |||||
| 0 to 100 | — | — | — | — | — |
| 100 to 200 | — | — | — | — | — |
| 200 t0 300 | 539 | 6 | — | — | — |
| 300 t0 400 | 5457 | 331 | 5 | — | — |
| 400 to 500 | 6502 | 786 | 40 | 2 | — |
| 500 t0 600 | 2811 | 648 | 37 | 6 | — |
| 600 t0 700 | 1038 | 294 | 40 | 3 | — |
| 700 t0 800 | 339 | 113 | 34 | 8 | — |
| 800 to 900 | 194 | 56 | 16 | 1 | — |
| 900 to 1000 | 110 | 20 | 7 | 1 | — |
| 1000 to 1200 | 49 | 14 | 5 | 1 | 1 |
| 1200 to 1300 | 37 | 10 | 1 | — | — |
| 1300 to 1400 | 30 | 14 | — | — | — |
| 1400 to 1500 | 16 | 7 | — | — | — |
| 1500 to 1600 | 5 | 4 | — | — | — |
| 1600 to 1700 | 2 | 1 | 1 | — | — |
| 1700 to 1800 | 5 | — | — | — | — |
| 1800 to 1900 | 4 | 1 | — | — | — |
| 1900 to 2000 | 1 | — | — | — | — |
| 2000 to 2100 | 2 | — | — | — | — |