Structures Controlled by Entropy: The Flexibility of Strychnine as Example
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DOI: 10.3390/molecules27227987
Abstract: To study the flexibility of strychnine, we performed molecular dynamics simulations with orientational tensorial constraints (MDOC). Tensorial constraints are derived from nuclear magnetic resonance (NMR) interaction tensors, for instance, from residual dipolar couplings (RDCs). Used… read more here.
Keywords: flexibility strychnine; controlled entropy; flexibility; structures controlled ... See more keywords