From chemistry-request@server.ccl.net Fri Jul 26 14:55:00 2002 Received: from coyote.iupui.edu ([134.68.220.82]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6QIt0r20992 for ; Fri, 26 Jul 2002 14:55:00 -0400 Received: from macgw.chem.iupui.edu (macgw.chem.iupui.edu [134.68.137.71]) by coyote.iupui.edu (8.9.3/8.9.3/IUPUIPO.20020221) with SMTP id NAA30508 for ; Fri, 26 Jul 2002 13:55:01 -0500 (EST) Message-ID: Date: 26 Jul 2002 14:07:27 -0500 From: "Boyd" Subject: Emerging Technologies To: "OSC CCL" X-Mailer: Mail*Link SMTP for Quarterdeck Mail; Version 4.1.0 Hello, What are the latest breakthroughs in computational chemistry? You are invited to hear the talks at the Symposium on Emerging Technologies in Computational Chemistry, to be held at the ACS National Meeting next month. The symposium will be held on Tuesday afternoon, August 20, 2002, in Room 103 of the Hynes Convention Center, Boston, Mass. The speakers will be competing for a $1000 prize sponsored by Schrodinger Inc., www.schrodinger.com The six topics and speakers are: 1. Geminals-based model chemistry. Vitaly A Rassolov (University of South Carolina) 2. A linear-scaling quantum chemistry method for ground and excited states: Localized-density-matrix method. GaunHua Chen (Hong Kong) 3. Monte Carlo simulation of proteins through a random walk in energy space. Nitin Rathore and J. J. de Pablo (University of Wisconsin-Madison) 4. Direct calculation of molecular free energies. Chia-en Chang and M. K. Gilson (University of Maryland) 5. High throughput prediction of passive ADME properties from fragments. Tudor I. Oprea (AstraZeneca and the University of New Mexico), M. Baroni, I. Zamora, and G. Cruciani 6. Priviledged substructure searching for focused set design. Christophe Cleva (Serono Pharmaceutical Research Institute, Switzerland), D. Domine, C. Merlot, J. Bunn, E. Sebille, W. Sauer, and D. Church Hope to see you in Boston. Thanks, Don Donald B. Boyd, Ph.D. Organizer, ACS Annual Symposium on Emerging Computational Technologies Department of Chemistry Indiana University-Purdue University at Indianapolis Indianapolis, Indiana 46202-3274, U.S.A. E-mail boyd@chem.iupui.edu