Table 1. Molecular Dynamics Simulations.
sim. | ligand | membrane | length (μs) |
---|---|---|---|
1 | orexin-A, TM5 | POPC | 3 |
2 | orexin-A, TM5 | POPC | 1 |
3 | orexin-A, TM5 | POPC–CHOL | 3 |
4 | orexin-A, TM5 | POPC–CHOL | 1 |
5 | orexin-A, TM7 | POPC | 3 |
6 | orexin-A, TM7 | POPC | 1 |
7 | orexin-A, TM7 | POPC–CHOL | 3 |
8 | orexin-A, TM7 | POPC–CHOL | 1 |
9 | suvorexant | POPC | 3 |
10 | suvorexant | POPC–CHOL | 3 |
11 | Nag26 | POPC | 3 |
12 | Nag26 | POPC | 1 |
13 | Nag26 | POPC–CHOL | 3 |
14 | Nag26 | POPC–CHOL | 1 |
15 | none | POPC | 3 |
16 | none | POPC–CHOL | 3 |