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. 2021 Mar 7;13(5):6258–6272. doi: 10.18632/aging.202703

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