On the Use of Double Mutant Cycles to Probe the Molecular Interactions in Biomolecular Condensates

This repository contains code and data for:

Rauh A.S., Tesei, G. & Lindorff-Larsen, K. (2026) On the Use of Double Mutant Cycles to Probe the Molecular Interactions in Biomolecular Condensates. (bioRxiv)

The simulation data can be retrieved from the Electronic Research Data Archive at UCPH (ERDA):

Running CALVADOS simulations with PEG

CALVADOS simulations can be run either with the code provided here or using the CALVADOS package (Example)

File structure