Helps you choose the right computational tools and techniques to
meet your drug design goals
"Computational Drug Design" covers all of the major
computational drug design techniques in use today, focusing on the
process that pharmaceutical chemists employ to design a new drug
molecule. The discussions of which computational tools to use and
when and how to use them are all based on typical pharmaceutical
industry drug design processes.
Following an introduction, the book is divided into three
parts:
Part One, The Drug Design Process, sets forth a variety of
design processes suitable for a number of different drug
development scenarios and drug targets. The author demonstrates how
computational techniques are typically used during the design
process, helping readers choose the best computational tools to
meet their goals.
Part Two, Computational Tools and Techniques, offers a series of
chapters, each one dedicated to a single computational technique.
Readers discover the strengths and weaknesses of each technique.
Moreover, the book tabulates comparative accuracy studies, giving
readers an unbiased comparison of all the available techniques.
Part Three, Related Topics, addresses new, emerging, and
complementary technologies, including bioinformatics, simulations
at the cellular and organ level, synthesis route prediction,
proteomics, and prodrug approaches.
The book's accompanying CD-ROM, a special feature, offers
graphics of the molecular structures and dynamic reactions
discussed in the book as well as demos from computational drug
design software companies.
"Computational Drug Design" is ideal for both students and
professionals in drug design, helping them choose and take full
advantage of the best computational tools available.
Note: CD-ROM/DVD and other supplementary materials are not
included as part of eBook file.
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