Intermolecular Interactions: from diatomics to biopolymers
نویسندگان
چکیده
منابع مشابه
Intermolecular Interactions via Perturbation Theory: From Diatoms to Biomolecules
This article is devoted to the most recent, i.e. taking place within the last few years, theoretical developments in the field of intermolecular interactions. The most important advancement during this time period was the creation of a new version of symmetry-adapted perturbation theory (SAPT) which is based on the density-functional theory (DFT) description of monomers. This method, which will...
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Specific features of biopolymers which determine their functionality, in particular the catalytic activity of enzymes, are discussed. Electronicconformational interactions (Ed) are responsible for the most important properties of biopolymers. A survey of theoretical work is given, devoted to ECI, electron and atom transfer in enzymatic reactions. The qualitative methods of quantum chemistry are...
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Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to t...
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ژورنال
عنوان ژورنال: FEBS Letters
سال: 1978
ISSN: 0014-5793
DOI: 10.1016/0014-5793(78)81229-0