Abstract
SCF ab initio computations are carried out on the binding of alkali and alkaline-earth cations to the phosphate monoanion. The effect of the binding on the conformational properties of the phosphodiester linkage and of the polar head of phospholipids is investigated. The results indicate that following the nature of the cation and the site of its binding, the interaction may have a profound influence on the conformation of the ligand. The consequences of this situation on the use of lanthanide probes in NMR studies are considered.
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Pullman, B., Gresh, N., Berthod, H. et al. Cation binding to biomolecules. Theoret. Chim. Acta 44, 151–163 (1977). https://doi.org/10.1007/BF00549098
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DOI: https://doi.org/10.1007/BF00549098