Table 1.
Site ID | Site score | Volume | Glide XP score (kcal/mol) | |
---|---|---|---|---|
Noscapine | Br-noscapine | |||
1 | 1.022 | 1483.8 | −5.170 | −5.466 |
2 | 1.106 | 220.9 | −4.084 | −4.349 |
3 | 0.910 | 236.6 | −4.794 | −4.871 |
4 | 0.916 | 127.6 | −0.751 | −1.869 |
5 | 0.849 | 138.6 | −2.113 | −2.342 |
6 | 0.793 | 170.5 | −2.150 | −2.385 |
7 | 0.746 | 67.2 | −1.957 | −3.263 |
8 | 0.671 | 84.7 | −2.296 | −3.336 |
9 | 0.886 | 85.7 | −1.042 | −1.302 |
10 | 0.632 | 80.6 | −5.521 | −6.261 |