Solvation Free Energy Estimation on Alanine Dipeptide (ALDP)
27.3Solvation Free Energy (ALDP)Thermodynamic integration (TI)
Evaluation results
| Method | Links | |
|---|---|---|
| Thermodynamic integration (TI)RNE regularization=false2025.06 | 27.3 | |
| Thermodynamic integration (TI)RNE regularization=true2025.06 | 29.28 |