TABLE 1.
Setup | I |
II |
III |
IV |
||||
---|---|---|---|---|---|---|---|---|
Score | RMSD | Score | RMSD | Score | RMSD | Score | RMSD | |
kcal/mol | Å | kcal/mol | Å | kcal/mol | Å | kcal/mol | Å | |
Imipramine | −8.4 | 1.95 | −7.6 | 0.70 | −7.8 | 1.65 | −6.4 | 0.89 |
Desipramine | −8.4 | 1.52 | −7.9 | 1.48 | −7.4 | 0.49 | −6.7 | 1.17 |
Clomipramine | −8.6 | 1.66 | −7.9 | 1.65 | −7.8 | 0.54 | −6.8 | 1.63 |
3-Cyanoimipramine | −8.2 | 1.73 | −7.2 | 1.46 | −8.1 | 1.47 | −6.3 | 1.51 |