Table 3 Free energy of binding values (Kcal mol−1) for ligand-TYMS systems obtained from flexible and rigid docking
Systems | Free energy of binding | |
|---|---|---|
Flexible docking | Rigid docking | |
Capecitabine-TYMS | −7.1 | −8.8 |
D1-TYMS | −8.0 | −9.5 |
D2-TYMS | −7.9 | −9.0 |
D3-TYMS | −7.6 | −8.2 |
D4-TYMS | −7.4 | −8.5 |