Title: An introduction to computer assisted drug design
Member: Tom Perun
A book that will provide a broad overview of the useful computational
methods in drug design. It is expected that the book will be used
for self-study as well as a guide in advanced biochemistry or medicinal
The proposed book will be organized along the steps of drug discovery.
That is, the first chapters will address the design of screening libraries,
the next will address following up high throughput screening hits,
and the final chapters will address optimizing a series. Topics will
be introduced when first needed, but referenced and expanded as needed
for later discussions.
The level of detail in the main body of the book will be conceptual;
however, for the more eager reader, additional details will be provided
in set-aside boxes. The discussion will not include the details of
all the computer programs available for a particular purpose and especially
it will not include discussions of how to run the programs. In a similar
vein, the citations will generally be to review articles. Every topic
will be illustrated with examples.