Table 4.
protein target | compound name | amino acids involved in intermolecular interactions | binding energy (kcal mol−1) |
---|---|---|---|
1ZID | compound 6f | Thr196 | −7.826 |
Phe149 | |||
compound 6h | Met98 | −9.189 | |
Arg32 | |||
compound 6s | Asp64 | −11.123 | |
Trp222 | |||
Tyr158 | |||
compound 6o | Thr196 | −7.316 |