Limitations of atom-centered dielectric functions in implicit solvent models
Article Abstract:
Atom-centered polynomial or Gaussian functions define low and high dielectric regions and atom-centered surfaces are found to be of significant magnitude in globular proteins, increase solvation energies and also distort the free energy surface of nonbonded interactions. The optimal surface definition remains smooth and differentiable but the implicit solvent dielectric functions should exclude interstitial high dielectric regions to yield meaningful results.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Dielectric properties of the bR membrane
Article Abstract:
The study is conducted to investigate the application of time domain dielectric spectroscopy (TDDS) from 500kHz to 3 GHz to the bR containing purple membrane film. It is concluded that the bR membrane, prepared like oriented and nonoriented films, demonstrate different temperature dependencies.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Specular X-ray reflectivity and small angle neutron scattering for structure determination of ordered mesophorous dielectric films
Article Abstract:
Specular X-ray reflectivity (SXR) and small-angle neutron scattering (SANS) are used to characterize the structure of a thin film containing cylindrical mesophores. The SXR results of this film exhibit an anomalous decrease in reflected intensity after each Bragg reflection.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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