Subject: UCLA short course on "Computer-Aided Molecular Design"

From: "Goodin, Bill" <[email-masked]>
Date: Sun, 08 Oct 95 17:12:00 PDT

On February 12-15, 1996, UCLA Extension will present the short course,
"Computer-Aided Molecular Design", on the UCLA campus in Los Angeles.

The instructors are Richard Judson, PhD, Sandia National Laboratories;
Michael Colvin, PhD, Sandia National Laboratories; and Tony Hopfinger,
PhD, University of Illinois at Chicago.

This course provides a broad introduction to computer-aided molecular
design.  It describes how computational methods can be appropriately
applied to real-world problems in the pharmaceutical, biotechnology and
chemical industries.  A variety of methods are discussed, ranging from
statistical methods based on experimental data to high level ab initio
quantum chemical calculations.  The methods to be introduced include
molecular dynamics, quantum chemistry, statistical methods such as QSAR 
(Quantitative Structure Activity Relationships), and diffusion and
compartment models for drug delivery.  Sections of the course also
introduce homology-based protein modeling and general purpose
optimization methods used across a range of computational chemistry
methods.

The course combines descriptions of methods with applications to specific
areas, including predictions of physical properties of molecules 
(solubilities, conformations, pKa, diffusion coefficients, etc.), 
predictions of binding
properties of drugs (binding geometries and energetics), and statistical
prediction of various properties from experimental data.  Each method is
illustrated with a case study, and the material in the lectures are 
reinforced
through hands-on computer laboratory sessions.

The course is designed to benefit:
o    Professionals in the pharmaceutical, biotechnology or chemical
industry who are evaluating the usefulness of molecular modeling
o    Professionals moving into the area of modeling
o    Modelers who are expert in one field but who wish to broaden
their expertise.

Major benefits from the course include:
o    How computer modeling can be used for the design of molecules
o    How to choose the appropriate modeling method for specific
problems
o    How to apply standard molecular modeling tools
o    How to assess the accuracy of predictions made by computer
models.

The course fee is $1395, which includes extensive course materials.

For additional information and a complete course description, please
contact Marcus Hennessy at:

(310) 825-1047
(310) 206-2815  fax
[email-masked]