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Table 1 Details about the simulation models

From: The stability and self-assembly of tri-calcium silicate and hydroxyapatite scaffolds in bone tissue engineering applications

 

Number of molecules incorporated in simulations

Number of molecules incorporated in simulations

Weight%

SA

HAP

SA

TCS

0

28

0

-

-

10

25

1

59

1

20

22

2

52

2

30

19

3

45

3

40

16

4

39

4

Simulation box

6 × 6 × 6 nm3

7 × 7 × 7 nm3

Water models

TIP3P

TIP3P

Salt

NaCl

NaCl

Salt concentration

0.15 M

0.15 M