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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.
It is now generally agreed that a deeper understanding of
biological processes requires a multi-disciplinary approach
employing the tools of biology, chemistry, and physics. Such
understanding involves study of biomacromolecules and their
functions, which includes how they interact, their reactions, and
how information is transmitted between them. This volume is devoted
to quantum mechanical simulation techniques, which have developed
rapidly in recent years. It covers quantum mechanical calculations
of large systems, molecular dynamics combining quantum and
classical algorithms, quantum dynamical simulations, and electron
and proton transfer processes in proteins and in solutions.
In Creating Community-Led and Self-Build Homes, Martin Field
explores the ways in which people and communities across the UK
have been striving to create the homes and neighbourhood
communities they want. Giving context to contemporary practices in
the UK, the book examines 'self-build housing' and 'community-led
housing', discussing the commonalities and distinctions between
these in practice, and what could be learned from other initiatives
across Europe. Individual methods and models of local practice are
explored - including cohousing, cooperatives, community land
trusts, empty homes and other intentional communities - and an
examination is made of what has constrained such initiatives to
date and how future policies and practice might be shaped.
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