The Product

The product is a Software-as-a-Service (SaaS) web application designed for MODSIM Pharma. It aims to provide tools for creating, visualizing, and analyzing protein-ligand binding. This application incorporates QmapFEP technology to characterize protein-ligand interactions and FepVIZ for visualizing and analyzing these structures. Users can utilize a 2D Sketcher to create new molecules, which are then stored in a database for visualization in 3D and further analysis in QmapFEP. The system includes user authentication for secure access and is designed for commercialization.

The Customer

The customer is MODSIM Pharma, a company dedicated to providing innovative solutions for drug research by characterizing protein-ligand binding. The primary point of contact was a co-founder of MODSIM Pharma, who initiated the development of QmapFEP during his PhD. The main goal for MODSIM Pharma is to integrate their QmapFEP and FepVIZ technologies into a user-friendly web application that can facilitate the early stages of drug development by allowing users to create and analyze molecular structures efficiently.

  • As digital alchemists, we turned code into gold.
  • Code is poetry; structure is the rhythm.
  • In software, evolution is the only constant.
  • Elegance in simplicity, power in abstraction.
The Team

The team consisted of six members, with three students from the Informatica track, and three from the Data Science and Artificial Intelligence track. A few roles were assigned to members to streamline the internal and external communication; these roles being the product owner, the scrum master, and the diagram master. Our product owner was in charge of communication with our client, ensuring they had an easy point of communication. Our scrum master had the responsibility of making the scrum process run smoothly and our diagram master made sure the diagrams required by the course were all perfect.

The Technologies