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First Principles Modelling of the Ion Binding Capacity of Finger Millet

Citation

Chappell, Helen and Devi, Apramita and Yong, Wei C. M. and Lin, Tsair-Fuh (2023) First Principles Modelling of the Ion Binding Capacity of Finger Millet. University of Leeds. [Dataset] https://doi.org/10.5518/1358

Dataset description

Input and output CASTEP files of K, Ca and Zn binding to single arbinoxylan chains.

Keywords: milet, xylans, dft, ion-binding
Divisions: Faculty of Engineering and Physical Sciences > School of Food Science and Nutrition
Related resources:
LocationType
https://doi.org/10.1038/s41538-024-00270-1Publication
https://eprints.whiterose.ac.uk/212520/Publication
License: Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited: 24 Apr 2024 14:52
URI: https://archive.researchdata.leeds.ac.uk/id/eprint/1272

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