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Table 3 Deviation of Gibbs free energy values of the twenty pairs of amino acids from the ideal linear value

From: Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations

Pair

Deviation of the free energy value from the ideal linear value [KJ/mol]

Ala-Arg

−179.06

Ala-Asp

−138.72

Ala-Glu

−135.82

Ala-Trp

−123.25

Ala-Gln

−113.15

Ala-Tyr

−111.77

Ala-Gly

−111.23

Ala-Phe

−110.97

Ala-Ala

−110.19

Ala-His

−109.46

Ala-Val

−106.13

Ala-Ile

−106.09

Ala-Leu

−104.81

Ala-Thr

−103.93

Ala-Ser

−101.42

Ala-Cys

−97.25

Ala-Met

−95.31

Ala-Pro

−93.06

Ala-Asn

−89.54

Ala-Lys

−85.56