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The role of an amphiphilic helix and transmembrane region in the efficient acylation of M2 from Influenza virus
- Publication Year :
- 2023
- Publisher :
- Zenodo, 2023.
-
Abstract
- 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
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....94fc7da9a05ab830a128876ed93ccea2
- Full Text :
- https://doi.org/10.5281/zenodo.7984500