The American Chemical Society Short Course
Computational Chemistry and Computer-Assisted Drug Design:
Theory and Applications
August 18-21, 1998
Laboratory for Molecular Graphics and Theoretical Modeling
College of Pharmacy, University of Texas at Austin
The introductory course will be especially valuable for experimental
chemists who design drugs or carry out syntheses, as well as other R&D
scientists in the organic, medicinal, or biochemical fields.
Each student will have their own Silicon Graphics workstation and access
to desktop computers for the duration of the short course. There will be
daily "hands-on" laboratory sessions so YOU can work with state-of-the-art
hardware and software.
Topics: Molecular Mechanics Calculations, Molecular Mechanics
Parameterization, Quantum Mechanics Calculations, Conformational
Searching, Drug Design, Pharmacophore Development, 3D Databases, 3D
Searching Strategies, and Combinatorial Chemistry Concepts
Who Should Attend?
Anyone wanting to know more about molecular structure calculations,
pharmacophore design, 3D database searching, and structure-function
relationships. The course has been designed primarily for experimental
scientists in industry or academics with a background in the chemical,
biological, and/or biomedical sciences.
Software: MM2/MM3, SYBYL, INSIGHT/DISCOVER, QUANTA/CHARMm, SPARTAN, ISIS,
CONCORD, CAChe, and more
J. Phillip Bowen (University of Georgia)
Norman L. Allinger (University of Georgia)
Alex Tropsha (University of North Carolina)
Warren Hehre (Wavefunction, Inc.)
Bob Pearlman (University of Texas at Austin)
Osman Guner (MSI)
Call the ACS Education Services/Short Course Office at
(800) 227-5558 x4508 or (202) 872-4508 or FAX (202) 872-6336