Team:ZJU-China/Modeling

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ODE equations:

Before recombination:

Formular.1

After combination, if combination succeeds.

Formular.2
Formular.3

After putting in Ara

Formular.4

Formulary:

Take GFP for example

Namedescription
mgfpThe number of GFP mRNA
pgfpThe number of GFP protein
NplaThe number of plasmid
αgfpThe maximal transcription rate of GFP
α0gfpThe leak of the promoter
αmgfpThe degradation rate of mRNA
βmgfpThe translate rate of mRNA
βpgfpThe degradation rate of GFP protein

description:

In this part, what we want to do is to find out the probability of the recombination of gene of interest through simple molecular dynamics simulation. Although this simulation is quite simple, it

certainly can tell us something right in some aspects within a certain accuracy.

The most important things for simulation are initial conditions and boundary conditions. Next, I will describe the initial conditions and boundary conditions in detail.

Initial conditions:

What is initial condition? Simply, initial condition is the condition when your simulation starts. More simply, initial condition is that you know every molecular coordinate as well as velocity if needs.

Boundary conditions:

What is boundary condition? E coli has a boundary, when the molecule runs out of its boundary, we should adjust it back in the E coli. In this simulation, periodic boundary condition is used. Some basic biology facts and simulation parameter choice:

<Graph.1 E.coli cell
  1. As shown above, the shape of E coli is similar to a cylinder. So in our simulation, we regard E coli as a cylinder whose radius is 0.5 , height is 2 .
  2. 2. By looking up some online information, we find the average velocity of protein in cells is about 10 , we estimate the average velocity of gene of interest fragment is the same order of magnitude of the protein for their mass is the same order of magnitude. 3. E coli replicate its chromosome in 40 minutes, the proceed rate of replication fork is about 10^5 bp/min. A fragment about 1kb needs 0.6s.

ODE equtions:

Formular.5
Formular.1

Formulary:

Namedescription
[ ][ ] stands for the concentration
kcInversion rate constant
kdidissociation equilibrium constant of int dimer-recombination site complex
kidissociation equilibrium constant of int-int dimer
kdixdissociation equilibrium constant of int-xis dimer complex on a recombination site
αsetThe transcription rate of input set
αresetThe transcription rate of input reset
αIThe maximal transcription rate of int
αXThe maximal transcription rate of xis
γIThe degradation rate of int
γXThe degradation rate of xis
kdThe dissociation equilibrium constant
Formular.1