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University Science Books: Sausalito, CA, 1997. 456 pp. 178 Figs.,
61 tables, 12 special topic boxes. 10.5 x 7.25
x 1.25 in. ISBN 0-935702-77-6. $56.50.
As an introductory text to this field, this book can
be quite informative. It covers the basics of molecular
mechanics in a readable straightforward manner and it is
pertinent to beginners and experienced modelers alike. The novice
user will be exposed to the basics of molecular mechanics
necessary to perform such calculations and their proper
interpretation, while advanced users may find approaches to
complement and amplify their ongoing studies. The text offers
homework problems to help readers identify and understand the
more important concepts introduced in the chapter. Answers
are provided in one of the appendices. One slight drawback
to the book is that although numerous references are cited,
certain sections are not as up to date as they should be. In spite
of this, the text is a good primer for use in the early
education of molecular modeling students.
The text is divided into 8 chapters, beginning with
an Overview, followed by Organics, Peptides and Proteins,
Drug Design, DNA, Synthetic Polymers, Inorganics, and
Force Fields. Each chapter includes numerous informative
homework assignments, references, further reading, and
supplemental case studies sections denoted in boxes. In each section of
a chapter the concept is introduced in a background
section, which is followed by methods and results sections. The
five appendices consist of Stereochemical Terms,
Thermodynamic Corrections, Molecular Dynamics, Monte Carlo
Sampling, and Answers to Homework.
The Organics chapter is especially well done,
showing the traps and pitfalls that may occur in small-molecule
work. The Peptides and Proteins section provides good
grounding for work in this area and its discussion is deep enough to
be of value to all in the field. The Drug Design chapter
covers some basic concepts in this subject, but as expected
cannot be an all-inclusive treatise on all aspects of this diverse
field. The DNA chapter spans a large amount of material very
well and is necessary to understand the current concepts
important in this arena of molecular modeling. The Synthetic Polymers
section tries to address basic issues but does not come as
close to offering the rudiments of this field as some of the
other chapters. The Inorganics chapter elucidates most of
the important details required to begin serious molecular
modeling experiments but is limited because of the shortcomings
of molecular mechanics itself. The Force Fields section is
too brief to be of value to an expert but it does provide a
nice review and future perspective for the beginner
thinking about parameterization problems and their associated
limitations. Overall, the text provides a relatively solid and
effective introduction to the field of molecular mechanics and
would be a useful addition to any faculty, student, or
institutional library, especially in light of recent advancements in
the desktop molecular modeling field, where virtually anyone
can gain insight into almost any chemical system.
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