Article ID Journal Published Year Pages File Type
5393934 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract
A first solvation shell with a octacoordination configuration is found to occur at the calcium ion center for the three hydrated clusters of Gly-Ca2+(H2O)n, Thr-Ca2+(H2O)n and Phe-Ca2+(H2O)n, and these conformations are further stabilized by intermolecular hydrogen bonds.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study of hydrated Ca2+-amino acids (glycine, threonine and phenylalanine) clusters
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