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Item Details
Title: MODELLING MOLECULAR STRUCTURE AND REACTIVITY IN BIOLOGICAL SYSTEMS
By: Kevin Naidoo (Editor), John Brady (Editor), Martin Field (Editor)
Format: Electronic book text

List price: £91.63


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ISBN 10: 1847555373
ISBN 13: 9781847555373
Publisher: ROYAL SOCIETY OF CHEMISTRY
Pub. date: 27 September, 2006
Series: Special Publication v. 304
Pages: 304
Description: This book provides a complete reference on state of the art computational chemistry practised on biological systems.
Synopsis: Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems.It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.
Publication: UK
Imprint: Royal Society of Chemistry
Returns: Non-returnable
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