Table 1.
Model | Tris 1 |
Tris 3 |
Tris 4 |
|||
---|---|---|---|---|---|---|
aff | dist | aff | dist | aff | dist | |
1 | −7.4 | 0.00 | −8.0 | 0.00 | −6.9 | 0.00 |
2 | −7.3 | 29.54 | −7.7 | 31.04 | −6.6 | 30.31 |
3 | −7.2 | 2.66 | −7.5 | 5.73 | −6.5 | 8.79 |
4 | −7.2 | 2.39 | −7.4 | 22.34 | −6.4 | 15.07 |
5 | −7.2 | 2.25 | −7.3 | 4.70 | −6.3 | 1.04 |
Note: Tris: Trisindoline; aff: Binding affinity (kcal/mol); dist:Distribution of RMSD.