Data for: "Predicting Lipid Eutectics Using Coarse-Grained Molecular Dynamics"



Python script used to generate perfect crystals, and voids (in SI).

Python script used to determine melting point onset (in SI).

Average melting point onset temperature results and plots for each TAG ratio/void size combination (in SI).

Configuration files used to generate all the crystals (unit cells and individual molecules) (in zip file).

Files used for simulation in GROMACS (force field, starting configurations, topologies and simulation parameters) (in zip file).

Figures used in the paper and SI.

Bootstrap error plots.
Date made available6 Nov 2023
PublisherUniversity of Strathclyde

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