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Normal‐Mode calculation for methylated Z‐DNA poly(dG‐m5dC) · (dG‐m5dC)
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AbstractNormal modes of methylated Z‐DNA poly(dG‐m5dC) · (dG‐m5dC) are computed by helix‐lattice dynamics. Good agreement with Raman spectral data is obtained. We discuss improvements in the formulation of the problem that allow us to greatly reduce the size of the matrix used. This leads to greatly reduced calculation times. The improvements come from using knowledge of the C2 and time‐reversal symmetries.
Title: Normal‐Mode calculation for methylated Z‐DNA poly(dG‐m5dC) · (dG‐m5dC)
Description:
AbstractNormal modes of methylated Z‐DNA poly(dG‐m5dC) · (dG‐m5dC) are computed by helix‐lattice dynamics.
Good agreement with Raman spectral data is obtained.
We discuss improvements in the formulation of the problem that allow us to greatly reduce the size of the matrix used.
This leads to greatly reduced calculation times.
The improvements come from using knowledge of the C2 and time‐reversal symmetries.
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