NMRlipids proj. II: lipid-ion interaction

This is the repository of NMRlipids II project. This is part of the Open Collaboration project running at nmrlipids.blogspot.fi to understand lipid structures with atomistic detail.

Publications

• Molecular electrometer and binding of cations to phospholipid bilayers. Andrea Catte, Mykhailo Girych, Matti Javanainen, Claire Loison, Josef Melcr, Markus S. Miettinen, Luca Monticelli, Jukka Määttä, Vasily S. Oganesyan, O. H. Samuli Ollila, Joona Tynkkynen and Sergey Vilov, Phys. Chem. Chem. Phys., 18, 32560, 2017, DOI: 10.1039/C6CP04883H

Directory structure and workflow

[Manuscript] (https://github.com/NMRLipids/lipid_ionINTERACTION/tree/master/Manuscript) -- contains the current version of the manuscript in raw LaTex format and in pdf.

[Data] (https://github.com/NMRLipids/lipid_ionINTERACTION/tree/master/Data) -- contains the data used in the manuscript

[Figs] (https://github.com/NMRLipids/lipid_ionINTERACTION/tree/master/Fig) -- contains the figures and scripts to generate those from the Data folder.

[Scratch] (https://github.com/NMRLipids/lipid_ionINTERACTION/tree/master/scratch) -- contains everything else and all the work in progress which is not ready for the Data folder.

The up-to-date manuscript of each project will be always found from the Manuscript folder. The manuscript also contains a ToDo list with specific issues to be improved (unless it is finished). The discussion will be done at GitHub issue tracker and at nmrlipids.blogspot.fi.

The NMRlipids authorship guidelines apply to this repository.