ProteinBind

📋 Table of Contents

1. 🤖 Introduction
2. ⚙️ Tech Stack
3. 🔋 Features
4. 🤸 Quick Start
5. 🧬 Protein Data Processing
6. 🚀 More

⚙️ Tech Stack

• Next.js
• TypeScript
• NVIDIA (for protein structure prediction)
• Tailwind CSS
• React Chart.js (for visualizing protein data)

🔋 Features

👉 Protein Structure Prediction: Predicts 2D protein structures using NVIDIA models.

👉 Collaborative Research: Researches can create groups and colloborate with other research online

👉 Responsive Design: Ensures seamless experience across all devices, from desktops to mobile.

🤸 Quick Start

Follow these steps to set up the project locally on your machine.

Prerequisites

Make sure you have the following installed on your machine:

• Git
• Node.js
• npm (Node Package Manager)

Cloning the Repository

git clone https://github.com/bbouzayeniilyes/ProteinBind.git
cd proteinbind

Installation

Install the project dependencies using npm:

npm install

Set Up Environment Variables

Create a new file named .env in the root of your project and add the following content:

NEXT_PUBLIC_NVIDIA_API_KEY=your-nvidia-api-key

ABLY_API_KEY='your-ably-api-key'

MONGODB_URL='your-mongodb-url'

NEXT_PUBLIC_API_BASE_URL=http://localhost:3000

RESEND_KEY='your-resend-api-key'

Running the Project

npm run dev

Open http://localhost:3000 in your browser to view the project.

🧬 Protein Data Processing

This section covers the protein data processing pipeline, including loading protein structure files (e.g., PDB format), performing molecular docking simulations, and visualizing the results.

Protein Structure Input

Users can upload PDB files for protein structures, which will then be processed by NVIDIA NeMo's protein-folding models.

Docking Simulation

Using molecular docking algorithms, the system predicts how small molecules (such as drug candidates) bind to protein targets.

🚀 More

Stay tuned for more updates and features! Join our community, contribute to the repository, and follow along with our detailed tutorials.