Modeling Project: AChE Inhibition Kinetics

Course project for computational modeling, focused on acetylcholinesterase (AChE) inhibition kinetics and comparative analysis of inhibition mechanisms.

The main workflow is notebook-based and is documented in model/explained.ipynb.

Project Goal

The objective is to study how different inhibition models affect enzyme velocity, and to present the results in a transparent, reproducible format.

Repository Structure

.
|-- README.md
|-- requirements.txt
|-- essay/
|-- model/
|   `-- explained.ipynb
`-- slides/

Requirements

• Python 3.9+
• A virtual environment is recommended
• Packages listed in requirements.txt

Installation

1. Clone the repository:

git clone https://github.com/unipeano/Modeling-Project.git
cd Modeling-Project

2. Create and activate a virtual environment (recommended):

python -m venv venv
# Windows (PowerShell)
.\venv\Scripts\Activate.ps1
# Windows (cmd)
.\venv\Scripts\activate.bat
# macOS/Linux
source venv/bin/activate

3. Install dependencies:

pip install -r requirements.txt

How To Run

The project is intended to be explored through the notebook:

model/explained.ipynb

You can open and run it with either:

• VS Code (recommended for this repository)
• Jupyter Notebook/Lab

If you use Jupyter from terminal:

jupyter notebook

then open model/explained.ipynb and run the cells in order.