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[Molecular-modelling] ACS Short Course in Computational Chemistry and Drug Design

Iosif Vaisman ivaisman at gmu.edu
Sat Jul 30 23:03:15 EST 2005

ACS Short Course
Computational Chemistry and Computer-Assisted Drug Design: Practical

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.

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
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

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

Email: shortcourses at acs.org
Phone: 800-227-5558, ext. 4508, or 202-872-4508.

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