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Diaspartate and diglutamate + CaCO3 dimer

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https://figshare.com/articles/dataset/Diaspartate_and_diglutamate_CaCO3_dimer/1012860
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资源简介:
Structures of calcium diaspartate+calcium carbonate dimer and calcium diglutamate+calcium carbonate dimer optimized in the gas phase at the RI-MP2/SVP level of theory.  This structures are supplementary material for the paper  Víctor M. Rosas-García*, Isidro de León-Abarte, Germán Vidal-López, Arturo Palacios-Pargas, Xóchitl Jáuregui-Prado "Not All Carboxylates are Created Equal: Differences in Interaction of Carboxylated Peptides with a CaCO3 dimer" Biophysical Chemistry (2014) DOI: 10.1016/j.bpc.2014.06.003
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2014-06-26
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