Table 2. Fraction of Conformers and CPU Time Ratio.
| method | PII [%] | αR [%] | CPU time ratio |
|---|---|---|---|
| our model | 22.12 | 10.62 | 4.38 × 10−5 |
| Pettitt and Karplus | 17.58 | 0.29 | 4.38 × 10−5 |
| GB/SA | 18.75 | 6.37 | 5.03 × 10−5 |
| explicit MD | 26.18 | 4.52 | 1 |
| method | PII [%] | αR [%] | CPU time ratio |
|---|---|---|---|
| our model | 22.12 | 10.62 | 4.38 × 10−5 |
| Pettitt and Karplus | 17.58 | 0.29 | 4.38 × 10−5 |
| GB/SA | 18.75 | 6.37 | 5.03 × 10−5 |
| explicit MD | 26.18 | 4.52 | 1 |