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Vol. 29 No. 5
September-October 2007

The Project Place | Information about new, current, and complete IUPAC projects and related initiatives
See also www.iupac.org/projects

An Introduction to Computer-Assisted Drug Design

A new project of the Chemistry and Human Health Division is to prepare a book that will provide a broad overview of the useful computational methods in drug design. The book will be for self-study and will also function as a guide in advanced biochemistry or medicinal chemistry courses.

The 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. In particular, 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.

For more information and comments, contact the Task Group Chair Yvonne C. Martin <yvonnecmartin@comcast.net>.

www.iupac.org/projects/2007/2007-006-1-700.html


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