eRMSF


Do you struggle with assessing the movement of specific residues of your protein during MDS? Here, I have a tool that can help you with that……

It’s called eRMSF, and it allows you to assess the movement of residues during molecular dynamics simulation (MDS) runs at specific time points.

So no need to rely on average values in a traditional RMSF plot, instead, you can complement that with eRMSF. You’ll be able to have a better sense of the types of domains, regions in your protein that are moving during the simulation.

Link to paper:https://pubs.acs.org/doi/full/10.1021/acs.jcim.5c02413

Link to Google Colab Notebook: https://colab.research.google.com/github/pablo-arantes/ermsfkit/blob/main/eRMSF.ipynb

Best,

Omar.

© ProteinReach|2026 SciLearningWorkshops LLC


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