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University Science Books: Sausalito, CA, 1997. 456 pp.
178 Figures, 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, covering the most pertinent parts of
molecular mechanics. This title 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 and interpret such calculations, 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, and the answers are provided
in one of the appendices. One slight drawback for 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, this
text is a good primer for use in the early education of
molecular modeling students.
The text is divided into 8 chapters. An Overview is
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 meth
ods and results sections. The appendices are
Stereochemical Terms, Thermodynamic Corrections, Molecular
Dynamics, Monte Carlo Sampling, and Answers to Homework.
The Organics chapter is especially well done,
showing the pitfalls that may trap the unwary in small-molecule
work. The Peptides and Proteins section provides a good
ground for work in this particular area and the discussion is
deep enough to be of value to all in this field. The Drug
Design chapter covers some basic concepts in this subject, but
as expected cannot be an all-inclusive treatise on this
diverse field. The DNA chapter spans a large amount of the
material very well and is necessary to understand current
concepts important in this arena of molecular modeling. The
Synthetic Polymers section tries to address the basic issues, but
does not come as close as some of the other chapters to offering
the rudiments of this field. 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 provides
a nice review and perspective for the beginner to think
about parameterization problems and their 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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