Table 5.
Free energy outputs of constructs using MM-PBSA computations
| Energy state | MCH-LR5 | MCH |
|---|---|---|
| Potential energy in Vacuum | − 5598.57 | 5208.72 |
| Polar solvation energy (kJ mol) | −13,192.5 | −12,912.64 |
| Non-polar solvation energy (kJ mol) | 515.11 | 509.628 |
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