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Table 4 Values of α according to the amino acid and the class (C1 or C2)

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

i

j

α value

I

j

α value

A

1

8.42

M

1

4.92

A

2

7.69

M

2

4.49

C

1

0.77

N

1

3.85

C

2

0.70

N

2

3.51

D

1

5.35

P

1

9.16

D

2

4.89

P

2

8.36

E

1

5.24

Q

1

1.87

E

2

4.78

Q

2

1.70

F

1

4.66

R

1

8.30

F

2

4.26

R

2

7.57

G

1

8.60

S

1

5.58

G

2

7.84

S

2

5.09

H

1

2.78

T

1

3.57

H

2

2.53

T

2

3.25

I

1

2.87

V

1

8.22

I

2

2.62

V

2

7.50

K

1

4.98

W

1

2.52

K

2

4.54

W

2

2.52

L

1

1.74

Y

1

6.59

L

2

1.59

Y

2

6.59

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BMC Bioinformatics

ISSN: 1471-2105

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