| MM | Molecular Mechanics |
| QM | Quantum Mechanics |
| SQM | Semiempirical Quantum Mechanics |
| QM/MM | Quantum Mechanical/Molecular Mechanical hybrid methods |
| SQM/MM | Semiempirical Quantum Mechanical/Molecular Mechanical hybrid methods |
| FEP | Free Energy Perturbation |
| BAR | Bennett’s Acceptance Ratio |
| JAR | Jarzynski’s equation |
| CRO | Crooks’ equation |
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