From owner-chemistry@ccl.net Fri Jul 29 21:55:06 2005 From: "CCL" To: CCL Subject: CCL: ACS Short Course in Computational Chemistry and Computer-Assisted Message-Id: <-28937-050729210630-15907-ETc9kVj+VqHwexQEb/3djg[a]server.ccl.net> X-Original-From: Iosif Vaisman Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii MIME-Version: 1.0 Sent to CCL by: Iosif Vaisman 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[a]uncg.edu Registration Web: http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=education%5Cprofessional%5Cscbp12.html Email: shortcourses[a]acs.org Phone: 800-227-5558, ext. 4508, or 202-872-4508.