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The current simulations have not been able to reproduce the 10%expansion expected for the NOCA model on the basis of the experimental
data[50]. However, the NOCA model is
substantially higher in energy (700 kcal/mol), indicating that it
might be driven to expand in more extensive calculations. The NEIMO
simulations show substantial contraction of both the PH7 and NOCA
models, but the nature of this phenomenon is unknown.
The RNA in the interior of the virus may be needed to prevent
contraction of the viral coat. Other models of TBSV should be
investigated, including those in which all Ca
ions are removed, but
are not replaced by Na
.
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