GalaxyMemMD: Galaxy workflows, MD trajectories, and starting structures for reproducible membrane protein embedding, simulation, and analysis

This repository contains the data and workflows for the publication "GalaxyMemMD: an end-to-end Galaxy toolset for reproducible membrane embedding, molecular dynamics simulation, and analysis of membrane proteins". GalaxyMemMD provides a set of Galaxy tools and workflows that take a membrane protein from its initial structure through membrane embedding, molecular dynamics (MD) simulation, and trajectory analysis. This record archives the inputs, outputs and Galaxy workflows needed to reproduce the results in the paper.