This is an introductory textbook, which includes developments in computational chemistry and molecular modelling on computers. The book contains many mathematical notions but is nonetheless easily understandable. Special attention is given to topological methods suitable for the study of both the highly detailed and the crude, large-scale shape features of molecular systems, in particular biologically important molecules and macromolecules such as peptides and proteins.
Sprache
Verlagsort
Zielgruppe
Für höhere Schule und Studium
Für Beruf und Forschung
Illustrationen
Maße
Höhe: 235 mm
Breite: 155 mm
Gewicht
ISBN-13
978-3-527-27932-6 (9783527279326)
Schweitzer Klassifikation
The intuitive concept of molecular shape; the quantum chemical concept of molecular shape; applied topology - the mathematics of the essential; quantitative shape - activity relations in drug design and molecular engineering; symmetry and approximate symmetry; molecular bodies, molecular surfaces and their topological representations; topological shape groups, shape codes, shape graphs; molecular similarity measures and molecular complementary measures.
