Team:GreatBay SCIE/Model

Modeling Overview

Introduction

Mathematical modeling is a useful tool in synthetic biology, as it allows us to describe the relationship between different parameters and variables during biochemical processes using a set of mathematical equations. In our project, we used mathematical modeling to obtain quantitative solutions to several problems we encounter in our project.

 

Mathematical Modeling

In our first model, we have predicted the optimum concentration of the aptamer used for the nanoparticle-aptamer conjugation, to improve the aptamers' binding affinity by mainly applying the principles and theories of calculus. By doing so, the efficiency of the drug we use can be substantially increased.

To get more information on this model, you can click here to visit a page with more detailed information.

 

In our second model, in order to predict the effectiveness of our drug, we have predicted the drug loading amount in a liposome by using Fick's Laws, which can assist the manufacturing of the drug and help predict the usage amount of the drug better.

To get more information on this model, you can click here to visit a page with more detailed information.

 

Besides, we also construct an additional modeling of binding constant to see the binding affinity of our aptamer to the HER2

To get more information on this additional model, you can click here to visit a page with more detailed information.

 

Structural Modeling

In order to help us view the structure of our aptamer and the binding model of our aptamer and the HER-II protein, we have used several software and algorithms (eg: Matlab, Mfold, RNA Composer......) to predict the structure of them. This has helped us to see how effective our drug is by knowing what is the epitope when binding.

To get more information on these models, you can click here to visit a page with more detailed information.

Figure 1.1: This is the predicted figure of the HER-II protein binding with the HER-II positive aptamer