Molecular Modeling/Computer-aided Drug Design Tutorial

Terry P. Lybrand


Computational tools have become increasingly important in the drug discovery and design processes. Methods from computational chemistry are used routinely to study drug-receptor complexes in atomic detail and to calculate properties of small molecule drug candidates. Tools from information sciences and statistics are increasingly essential to help organize and manage the huge chemical and biological activity databases all pharmaceutical companies now possess, and to make optimal use of these databases.

This tutorial session will provide an overview of several computational techniques and applications areas of importance in contemporary drug design programs. Some specific topics to be addressed include:

A syllabus with lecture notes, including a detailed bibliography, will be available prior to the tutorial workshop.

Biographical Sketch

Terry P. Lybrand has been on the faculty at the University of Washington since 1990, where he is currently Associate Professor of Molecular Bioengineering, Chemistry, and Director of the Whitaker Molecular Modeling Laboratory. He received his Ph.D. in Pharmaceutical Chemistry with Prof. Peter Kollman at the University of California in 1984. After postdoctoral work with Prof. J.A. McCammon, he was a Fellow at the Minnesota Supercomputer Institute and Assistant Professor of Medicinal Chemistry at the University of Minnesota from 1988-90. Prof. Lybrand was the recipient of a McKnight Land Grant professorship at the University of Minnesota, an NSF Presidential Young Investigator Award, and a Searle Scholars' Award. He has done consulting work and contract research for numerous pharmaceutical and biotechnology companies, and taught molecular modeling workshops for the American Chemical Society, the European Association for the Study of Diabetes, and various other organizations. Prof. Lybrand's research interests focus mainly on small molecule drug design, computer-aided protein engineering, and integration of bioinformatics techniques with drug design applications.

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