Molecular orbital calculations for biological systems
By: edited by Anne-Marie Sapse.
Contributors: Sapse, Anne-Marie.
Series: Topics in physical chemistry; Topics in physical chemistry series.
Publisher: Oxford University Press
Published: 1998
Place of publication: New York
Language: eng
Number of pages: 233
Subjects: Molecular orbitals; Biomolecules; Peptides; Amino acids; Antineoplastic agents
Description: Molecular Orbital Calculations for Biological Systems is a hands-on guide to computational quantum chemistry and its applications in organic chemistry, biochemistry, and molecular biology. With improvements in software, molecular modeling techniques are now becoming widely available; they are increasingly used to complement experimental results, saving significant amounts of lab time.

Common applications include pharmaceutical research and development; for example, ab initio and semi-empirical methods are playing important roles in peptide investigations and in drug design.

Throughout, the authors seek to encourage biochemists to discover aspects of their own research which might benefit from computational work. They also show that the methods are accessible to researchers from a wide range of mathematical backgrounds. Combining concise introductions with practical advice, this volume will be an invaluable tool for research on biological systems.
Notes: Includes bibliographical references and index.