Table 5. Energy decomposition analysis.
Docetaxel | Neohespridin | |
---|---|---|
Van der Waal energy | −158.953 | −169.743 |
Electrostattic energy | −19.672 | −111.149 |
Polar solvation energy | 130.971 | 238.858 |
SASA energy | 19.581 | −21.655 |
Binding energy | −67.273 | −63.669 |