Table 1 Docking properties for the best three docked structure.
From: Computational modelling of nanotube delivery of anti-cancer drug into glutathione reductase enzyme
Binding energy | kI (uM) | Intermolecular energy | Internal energy | |
|---|---|---|---|---|
Rank: 1_1 | − 4.7 | 360.98 | − 6.19 | − 1.12 |
Rank: 1_2 | − 4.69 | 362.09 | − 6.19 | − 1.12 |
Rank: 1_3 | − 4.69 | 365.94 | − 6.18 | − 1.13 |
