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Group theory of shapes of asymmetric biomolecules

โœ Scribed by Paul G. Mezey

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
327 KB
Volume
32
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Treatment of small deformations of polyh
Treatment of small deformations of polyhedral shapes of functional group distributions in biomolecules
โœ Paul G. Mezey; Kenichi Fukui; Shigeru Arimoto ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 395 KB ๐Ÿ‘ 1 views

Polyhedral models of the distribution of the essential functional groups (the EFG polyhedra) within biomolecules provide simple tools for the study of small deformations affecting the mutual positioning of functional groups. In general, the relative locations of various functional groups may have an

Polyhedral shapes of functional group di
Polyhedral shapes of functional group distributions in biomolecules and related similarity measures
โœ Paul G. Mezey; Kenichi Fukui; Shigeru Arimoto; Keith Taylor ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 149 KB ๐Ÿ‘ 1 views

The distribution of the essential functional groups within biomolecules is described by a series of polyhedral models. As a function of a threshold of the electronic density of the biomolecule, the combinatorial types of these polyhedra are threshold-dependent within each series, resulting in a char

The shape of molecular charge distributi
The shape of molecular charge distributions: Group theory without symmetry
โœ Paul G. Mezey ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 804 KB

A group theoretical framework is proposed for a detailed characterization of the shapes of electronic charge distributions of general, asymmetric molecules. The proposed shape groups are the homology and cohomology groups of charge density contour surfaces. These shape groups depend on two real para