Senior Design Team sample • Sample SD Site

Project Overview

Due to extreme costs, drug manufacturers often resort to simulation to detect how certain substrates and drug molecules may interact over time. Upon completing the simulation, the trajectories (i.e., motions of atoms within participating molecules) are analyzed for the purpose of detecting certain events of interest. Typically, those amount to forming of particular bonds (e.g., Hydrogen bond) which persist for a period of time. The purpose of this project is to develop a system that will enable the scientists to automatically run data analytics queries that will detect such "interesting events". The other side to this is that we want to be able to visually display the result of the queries that are ran. To do that we ended up using the molecular display application that our clients use called VMD. Frontend was done in React.js and the Backend was done with .NET and SQL Server

Design overview

Example output of unfiltered Vs. filtered results

Unfiltered

Filtered

Team Members

Daryl Kay

Backend

Software Engineer

Jeremy Lewis

Frontend

Software Engineer

Jason Guo

Frontend/small>

Software Engineer

Claira Springer

Testing

Software Engineer





491 Weekly Reports

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492 Bi-Weekly Reports

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Design Documents

Design Doc
Presentation
Lightning Talk
Final Presentation
Final Design Doc


Demo Video