Table 3.
Entropy and Enthalpy Decomposition for Unsaturated to Saturated Lipid Alchemical Transformations
| Bilayer (Temperature (K)) | Negative TΔS (kJ/mol) | ΔH (kJ/mol) |
|---|---|---|
| AA DLiPC (310) | −2 | −18 |
| AA DSPC-CHOL (310) | 156 | −194 |
| CG – Small-Ld – v2.2 | 19 | −12 |
| CG – Small-Lo – v2.2 | 40 | −50 |
AA, all-atom.