juProt is an open-source, standalone application designed to streamline the comparative analysis of protein-ligand interaction networks. It helps researchers quickly identify differences and commonalities in how ligands bind to proteins by analyzing Hydrogen Bonds, Hydrophobic Contacts, Salt Bridges, Pi-Stacking, and more.
juProt is currently available in two distinct formats to serve the needs of all researchers:
- Web Application: Run your comparative analysis effortlessly in the cloud without installing any dependencies. Access the Web App Here
- Standalone Docker Application: Built for long-term availability, sensitive local data execution, and headless/offline functionality.
➡️ Step 1: Download the application from the Official Releases Page.
➡️ Step 2: The downloaded package (.tar.gz) contains a file named INSTALL_GUIDE.md. Follow the simple instructions in that guide to run the application locally via Docker.
- Comprehensive Interaction Analysis: Powered by the PLIP engine.
- Comparative Visualization:
- 2D Spatial Pocket Map: A geometric projection of the binding pocket.
- Bar Charts: Visual comparison of interaction counts per residue.
- Data Export: Detailed CSV files for summary and in-depth analysis.
If you wish to run the application directly from the source code for development:
- Clone the repository:
git clone https://github.com/drbenedictpaul/juprot.git - Run the application:
cd juprot && bash bin/server
The first time you run this, all Julia and Python dependencies will be automatically installed.
If you use juProt in your research, please cite our publication:
[Paul BC, S P D, V S, Sekaran S. juProt: A web application for comparative analysis of protein-ligand interactomes. In Silico Pharmacol. 2026 Feb 26;14(1):81. doi: 10.1007/s40203-026-00588-6. PMID: 41767850; PMCID: PMC12936254.]
This project is licensed under the MIT License. See the LICENSE file for details.