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The effect of vibrational averaging on the molecular structure of pyrrole-15N derived from the NMR spectra of nematic solutions

✍ Scribed by J.W Emsley; E.W Randall


Publisher
Elsevier Science
Year
1976
Weight
151 KB
Volume
23
Category
Article
ISSN
0022-2364

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The effect of motional averaging when relating structural properties inferred from nuclear magnetic resonance (NMR) experiments to molecular dynamics simulations of peptides is considered. In particular, the effect of changing populations of conformations, the extent of sampling, and the sampling fr