Molecular Dynamics simulations of RAB8B and VAMP3 (All-atom and Coarse-graining)

This repository contains the simulations for the paper "Multi-Organ Molecular Landscape of Severe COVID-19 Revealed by Consensus Gene Signatures and RAB8B Targeting".

In order to save space, the simulations were edited to have 3000~5000 frames.

For questions, please contact peterprk0@gmail.com