The role of an amphiphilic helix and transmembrane region in the efficient acylation of M2 from Influenza virus

Simulation data for DHHC palmitoylation. Titles indicate the particular mutation and associated topologies files are included. Jupyter Notebooks for analysis attached (1) AnalyzeContactDistance -- Compute the distances and angles from mutations outlined in paper and indicated by title (2) FreeEnergyCycle -- Construct Thermodynamic cycle to compute ddG of mutation following Bennett Acceptance Ratio protocol. dE-1/2 are for independent MD trajectories and are average together. &nbsp