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Density functional calculations of chemical shielding of backbone15N in helical residues of protein G

โœ Scribed by Ling Cai; David Fushman; Daniel S. Kosov


Book ID
106401655
Publisher
Springer Netherlands
Year
2009
Tongue
English
Weight
325 KB
Volume
45
Category
Article
ISSN
0925-2738

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The short-time-scale fluctuations in 15N chemical shift tensors are examined for an ensemble of N-methylacetamide complexes constructed from a molecular dynamics (MD) trajectory of the gramicidin A channel in a fully hydrated phospholipid bilayer. Sum-over-states density functional perturbation theo