Table 2. The binding free energy of 3CLpro and Indinavir.
Complex | Van der Waal (kJ/mol) | Electrostatic (kJ/mol) | Polar solvation (kJ/mol) | Non-polar solvation (kJ/mol) | Binding energy (kJ/mol) |
3CLpro-Indinavir | -128.153 | -173.386 | 89.208 | -27.465 | -239.796 |