From Chemical Topology to Three-Dimensional GeometryAlexandru T. Balaban Springer Science & Business Media, 1997. gada 31. janv. - 420 lappuses Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods. |
Saturs
From Chemical Graphs to 3D Molecular Modeling | 1 |
References | 20 |
References | 40 |
Searching for Active Conformers in QSAR | 43 |
References | 69 |
References | 113 |
References | 154 |
References | 229 |
Chemical Graph Theory of Fullerenes | 237 |
References | 260 |
References | 294 |
References | 336 |
Applications of Topology and Graph Theory in Understanding Inorganic | 343 |
| 410 | |
Citi izdevumi - Skatīt visu
From Chemical Topology to Three-Dimensional Geometry Alexandru T. Balaban Ierobežota priekšskatīšana - 2006 |
From Chemical Topology to Three-Dimensional Geometry Alexandru T Balaban Priekšskatījums nav pieejams - 2014 |
From Chemical Topology to Three-Dimensional Geometry Alexandru T. Balaban Priekšskatījums nav pieejams - 2013 |
Bieži izmantoti vārdi un frāzes
3D structures A. T. Balaban Acta adjacency matrix algorithm amino acid amino acid residues aromatic atomic orbitals benzenoids bonding orbitals boranes boron cages calculated carbon atoms characterization Chem chemical bonding Chemistry chiral codes coinage metal complete graph compounds Comput coordinates corresponding curvature D. J. Klein deltahedral boranes descriptors distance edges eigenvalue electronic density embedded enantiomers energy equation extramembrane faces Figure fullerene geometry Graph Theory hexagons hybrid hydrocarbons hydrophobic interactions isomerization isomers lattice leapfrog Lett Math matrix membrane proteins method molecular graph molecular similarity molecules nuclear obtained octahedron P. G. Mezey P. W. Fowler pair parameters pentagons Phys planar polygonal polyhedra polyhedron polyhex polyoxometalates possible prediction properties QSAR Quantum Chem Randi rings S. C. Basak sequence skeletal electrons surface SWISS-PROT symmetry Tetrahedron theorem topological toroidal toroidal polyhex torus transmembrane segments Trinajsti unique internal orbitals valence values vertex atoms vertices