The coupling character of Ca(super 2+) with glutamic acid: Implication for the conformational behavior and transformation of Ca(super 2+) -ATPase in transmembrane Ca(super 2+) channel
Article Abstract:
Density functional theory calculations are used to investigate the gas-phase chelating structures of Ca(super 2+) with glutamic acid. Accurate geometric structures, relative stability, charge distributions, bonding analysis, and harmonic vibrational frequencies are explored.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
All Other Basic Inorganic Chemical Manufacturing, Calcium & Compounds, Usage, Glutamate, Thermal properties, Density functionals, Density functional theory, Calcium compounds, Structure
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Double proton transfer and one-electron oxidation behaviors in double H-bonded glycinamide-formamidine complex and comparison with biological base pair
Article Abstract:
The behaviors of double proton transfer occurring in a representative glycinamide-formamidine complex are investigated employing the B3LYP/6-311++G level of theory. The differences between model system and adenine-thymine base pair are discussed briefly.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Science & research, Research, Hydrogen bonding, Hydrogen bonds, Protons, Glycine, Chemical properties, Atomic properties
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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