Team:UESTC Life/Modeling

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Modeling

Contents

First Model

Our first model explored the change of intermediate product in multistep degradation of TCP. assume K1=1,K2=0.5, TCP→2,3DCP+Cl- ; 2,3DCP→A+Cl-. Through matlab analyzing, the program is in the program bar. Finally, the reaction is predicted. The result is similar to what we got through experiment.

UestclifeUntitled.jpg

FIG. The blue line stand for TCP; Red line stand for 2,3-DCP; Green line stand for serial product after 2,3-DCP.

Program

Second Model

The second model grade Linker and predict optimal length of linker in chimeric protein. According to many papers, the effects of linker length on equilibrium stability arise from significant and sometimes opposing changes in folding and unfolding kinetics.1,4,7,8 As for the structure, the rank of linker isα-helix >β-sheet > loop.2,3,4,5,8 And the effect of structure is dominant. We collected amass of data1,4,6,7,8 and degraded the effect of linker. Finally, we got a formula. The formula can predict the effect of the length of linker. The full point is 10.

Length points

Uestclifemod.jpg

y=y0 + (A/(w*sqrt(PI/2)))*exp(-2*((x-xc)/w)^2)

Y0=4.19829; Xc=21.97825; W=13.10889; A=68.84675

Structure point

1.α-helix A 2.β-sheet B 3. loop C

Result s

The point of P2A is A, the length point is 7.9777 P2A is in high score in this system.

Predict

The optimal linker is an α-helix and the number of amino acid is 22. So in future work we can construct this linker.

Reference