Title : Accurate Backbone 13 C and 15 N Chemical Shift Tensors in Galectin-3 Determined by MAS NMR and QM/MM: Details of Structure and Environment Matter.

Pub. Date : 2020 Jul 2

PMID : 32363727






1 Functional Relationships(s)
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1 Here we compare experimentally determined backbone 13 C alpha and 15 N H chemical shift tensors by MAS NMR with hybrid quantum mechanics/molecular mechanics/molecular dynamics (MD-QM/MM) calculations for the carbohydrate-binding domain of galectin-3. Carbohydrates galectin 3 Homo sapiens