Influence of Chondroitin Sulfate Hydrophobically Modified with Octadecyl Chains on Zwitterionic Lipid Membranes

Description

The dataset contains data used in the investigations of the behaviour of octadecyl substituted chondroitin sulphate (CS) oligomers on phosphatidylcholine lipid bilayer. Included are parameters, simulation settings, and coarsened trajectories. The data contained within this repository is intended to be used to reproduce molecular dynamics (MD) results, as well as conducting further research using our topologies. More details can be found in the Readme.pdf file in this archive.

Steps to reproduce

Instructions are contained within the Readme.pdf file. The instructions assume some familiarity with the GROMACS molecular dynamics simulation package and POSIX-compatible command-line interface.

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