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Density of states of a protein molecule
I need to estimate the density of states g(E) of a 24 kDa homodimeric globular protein for the RRKM-like treatment of mass-spectrometry data. The normal mode analysis (NMA) gives me the first 0.5 eV of it. So here I have two questions:
1. Does anyone know the way to get an estimate of g(E) for the higher energies? up to 5 eV would be sufficient for my needs.
2. I am a little confused, because there seems to be 2 kinds of g(E) profiles in the literature. One that comes from NMA or inelastic neutron scattering, with its characteristic bands. The other - that is calculated using numerical algorithms like Wang-Landau random walk or Beyer-Swinehart direct count algorithms. It looks like a steady ascending continuous function on a log scale.
If anyone could clarify this to me, I would be extremely thankful.
|density , density of states , molecule , protein , states|
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