ACS Short Course
Computational Chemistry and Computer-Assisted Drug Design: Practical
Approaches
230th ACS National Meeting
Washington Convention Center, Washington, DC
Friday-Saturday, August 26-27, 2005
This introductory level course is designed for organic chemists,
pharmaceutical chemists, and biochemists who are interested in learning
more about computational and combinatorial methods, or scientists who
need to develop a working knowledge of the fundamentals and need to
understand the concepts and terminology of this rapidly developing area.
Program
Overview of Computational Chemistry and Computer-Assisted Drug Design
Molecular Mechanics: Background, Development, Concepts, Force Fields
Conformational Searching
Molecular Dynamics Simulations: Background, Development, Concepts, and
Applications
Protein Structure Prediction
Overview of Quantum Chemistry Methods and Its Application to Drug Design
DNA and Protein Sequence and Structure Analysis
Drug Design Methods and Pharmacophore Design
QSAR and Property Prediction Methods
3D Database and 3D Searching
Examples of Pharmacophore Perception and 3D Searching
Combinatorial Chemistry and Chemical Diversity Concepts
Faculty
Phillip Bowen (UNCG), Osman Guner (Accelrys Inc.), Robert Pearlman
(UT-Austin), Christopher Lipinski (Pfizer), Alexander Tropsha (UNC),
Iosif Vaisman (GMU).
The course will be taught from 9:00 a.m. to 5:00 p.m. on both days. If
you have questions about the course, contact Dr. Bowen at 336-334-5714
or at jpbowen at uncg.edu
Registration
Web:
http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=education%5Cprofessional%5Cscbp12.html
Email: shortcourses at acs.org
Phone: 800-227-5558, ext. 4508, or 202-872-4508.
