From Chemical Topology to Three-Dimensional Geometry

Buch | Softcover

420 Seiten

2013 | Softcover reprint of the original 1st ed. 1997
Springer-Verlag New York Inc.
978-1-4757-8577-7 (ISBN)

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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.

From Chemical Graphs to 3D Molecular Modeling.- Descriptors of Molecular Shape in 3D.- 3D Molecular Design.- Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships.- Recognition of Membrane Protein Structure from Amino Acid Sequence.- On Characterization of 3D Molecular Structure.- Chemical Graph Theory of Fullerenes.- Recent Work on Toroidal and Other Exotic Fullerene Structures.- All-Conjugated Carbon Species.- Applications of Topology and Graph Theory in Understanding Inorganic Molecules.

Erscheint lt. Verlag	23.3.2013
Reihe/Serie	Topics in Applied Chemistry
Zusatzinfo	XVIII, 420 p.
Verlagsort	New York, NY
Sprache	englisch
Maße	152 x 229 mm
Themenwelt	Medizin / Pharmazie ► Pflege
	Medizin / Pharmazie ► Pharmazie ► PTA / PKA
	Naturwissenschaften ► Chemie ► Organische Chemie
	Naturwissenschaften ► Chemie ► Physikalische Chemie
ISBN-10	1-4757-8577-1 / 1475785771
ISBN-13	978-1-4757-8577-7 / 9781475785777
Zustand	Neuware