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. 2018 Jun 7;114(11):2595–2605. doi: 10.1016/j.bpj.2018.04.022

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.