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maakoshiro/Unbiased_simulations_characterize_lipid_binding
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Supporting DATA files for "Unbiased MD simulations characterize lipid binding to lipid transfer proteins" Three different folders are provided: - Workflow/ contains all the necessary files to run the unbiased lipid binding assay for any protein of interest, including MDP files, GRO files of lipids, and the scripts with the protocol - Analysis/ gathers multiple scripts used for the analysis of the resullts, such as lipid tail solvation - Final_Frames/ contains the final frames of the simulations of all protein-lipid pairs in the manuscript
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