GoMad: Perform Molecular Dynamics Simulation Using Go

We developed this tool using Go to help you run simple molecular dynamics simulation on you proteins.

Required package

To run R shiny:

• shiny
• ggplot2
• NGLVieweR
• bslib

How to use

1. Run App.R using RStudio
2. Input you protein pdb file
3. Choose the steps for energy minimization and simulation
4. Press "RUN MD SIMULATION"
5. Wait for a while, you can check the result on the right pannels

External link for demonstration

https://youtu.be/ZVAlwO2DHy8

Github

https://github.com/hxyv/GoMad