Team:ZJU-China/model s2 3.htm

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A large scale simulation

The initial state is as following:

Edge of cube: 50 units

The amount of A: 2000

The amount of B: 0

The amount of C: 0

The amount of E1: 50

The amount of E2: 50

The distance between E1 and E2 for RNA scaffold: 2 units

 

After 1200 iterations, the scaffold and non-scaffold results are as following:

 

Scaffold Non-scaffold
A (Substrate) 1417 1470
B (Intermediate) 436 451
C (Product) 147 79
E1 (Enzyme1) 50 50
E2 (Enzyme2) 50 50

 

Fig 4.(Left) Result of scaffold system for large scale simulation. After 1200 iterations, there are 436 B and 147 C.
Fig 5.(Right) Result of non-scaffold system for large scale simulation. After 1200 iterations, there are 451 B and 79 C.

 

Comparison between the two system

As the iteration increasing, the number of A is decreasing and the number of B and C are increasing. We record the number of B and C for both scaffold system and non-scaffold system as iteration grows to watch the reaction rate of pathway (i.e. the number of C).

Fig 6. The number of B and C as iteration grows.

From figure 4.5.6, it is obvious that the number of C for scaffold system is more than that for non-scaffold system and the number of B for scaffold system is less than that for non-scaffold system. This phenomenon can be interpreted as that the probability that B meets an E2 is highly increased since their distance is closer. Therefore, it is safely to draw a conclusion that the reaction rate of pathway has been speed up because of the scaffold bringing two enzymes closer.