Public Annoucement: ACS COMP Division "Emerging Technologies" Competitor List (Sponsored by Schrodinger)

Dear Folks,
 The ACS Division of Computers in Chemistry is proud to announce the list
 of seven competitors for the Fall 2003 "Emerging Technologies in
 Computational Chemstry" (Co-sponsored by Schrodinger, Inc) to be held at
 the New York ACS Meeting.  We thank everyone who entered the
 competition, and make note of the difficulty with which the following
 presentations were selected from a large pool of highly-qualified
 entries.  The talks selected by a panel of experts are listed below (in
 no particular rank order):
 COMP 98 [669375]:  Mining molecular dynamics data for molecular
 properties
 Ralph A. Wheeler, Department of Chemistry & Biochemistry, University of
 Oklahoma, 620 Parrington Oval, Norman, OK 73019
 COMP 99 [661122]:  A Super-linear Minimization Scheme for the Nudged
 Elastic
 Band Method
 Jhih-Wei Chu1, Bernhardt Trout1, and Bernard R. Brooks2. (1) Department
 of
 Chemical Engineering, Massachusetts Institute of Technology,
 Cambridge, MA 02139, (2) Laboratory of Biophysical Chemistry, National
 Heart,
 Lung and Blood Institute, National Institutes of Health
 COMP 100 [645648]:  Peptide to non-peptide: A real breakthrough in
 virtual screening
 Jeremy G. Vinter, Timothy J. Cheeseright, and Mark D. Mackey, Cresset
 BioMolecular Discovery, Spirella Building, Bridge Rd, SG 6 4ET,
 Letchworth, United Kingdom
 COMP 101 [664769]:  Implementation and Development of the
 Self-Consistent
 Charge Density Functional Tight-Binding Method
 Maciej Gutowski, Fundamental Science Division, Pacific Northwest
 National
 Laboratory, 902 Battelle Blvd., P.O. Box 999, MS K1-96, Richland, WA
 99352,
 COMP 102 [664273]:  Prediction and classification of protein binding
 sites
 Matthias Keil1, Thomas Exner2, and J|rgen Brickman2. (1) Discovery
 Informatics,
 Tripos, Inc, 1699 South Hanley Road, St. Louis, MO 63144,
 (2) Department of Physical Chemistry, Darmstadt University of Technology
 COMP 103 [659400]:  QSAR-based database mining: A success story of the
 discovery and experimental validation of novel anticonvulsant compounds
 Min Shen1, Cecile Beguin2, Alexander Golbraikh1, Harold Kohn2, and
 Alexander
 Tropsha1. (1) Laboratory for Molecular Modeling, School of
 Pharmacy, University of North Carolina, CB # 7360, Beard Hall, School of
 Pharmacy, Chapel Hill, NC 27599-7360, (2) Department of Medicinal
 Chemistry and Natural
 Products, School of Pharmacy, University of North Carolina at Chapel
 Hill
 COMP 104 [643901]:  Stochastic proximity embedding   methods and
 applications
 Huafeng Xu, and Dimitris K. Agrafiotis, Research Informatics,
 3-Dimensional
 Pharmaceuticals, Inc, 8 Clarke Drive, Cranbury, NJ 08512
 We hope to see you there in New York City in September!
 Curt Breneman
 RPI Chemistry
 COMP Treasurer
 Organizer, Emerging Technologies Symposium