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Searching and Optimizing Structure Ensembles for Complex Flexible Sugars

NMR restrictions are suitable to specify the geometry of a molecule when a single well defined global free energy minimum exists that is significantly lower than other local minima. Carbohydrates are quite flexible and therefore NMR observables do not always correlate with a single conformer but ins...

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Bibliografski detalji
Glavni autori: Xia, Junchao, Margulis, Claudio J., Case, David A.
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3183381/
https://ncbi.nlm.nih.gov/pubmed/21863822
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja205251j
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