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Modelling Molecular Structure and Reactivity in Biological Systems, Hardback Book

Modelling Molecular Structure and Reactivity in Biological Systems Hardback

Edited by Kevin (University of Cape Town, South Africa) Naidoo, John (Cornell University, USA) Brady, Martin (Institut de Biologie Structurale, France) Field, Jiali (University of Minnesota, USA) Gao, Michael (GlaxoSmithKline, UK) Hann

Part of the Special Publications series

Hardback

Available to Order - This title is available to order, with delivery expected within 2 weeks

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.

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£109.95

Available to Order - This title is available to order, with delivery expected within 2 weeks
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