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Modelling Molecular Structure and Reactivity in Biological Systems on Hardback
Modelling Molecular Structure and Reactivity in Biological Systems on Hardback
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Modelling Molecular Structure and Reactivity in Biological Systems

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Description

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.
Release date NZ
September 27th, 2006
Audiences
  • Postgraduate, Research & Scholarly
  • Professional & Vocational
Contributors
  • Edited by Jiali Gao
  • Edited by John Brady
  • Edited by Kevin Naidoo
  • Edited by Martin Field
  • Edited by Michael Hann
Illustrations
No
Pages
304
Dimensions
156x234x22
ISBN-13
9780854046683
Product ID
5808815

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