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Computers in Chemistry

The Computers in Chemistry Division
Awards Announcements

American Chemical Society

Date: Thu, 25 Jul 2002
CCG Excellence Awards winners

The American Chemical Society's (ACS) Division of Computers and Chemistry (COMP) and Chemical Computing Group (CCG), arepleased to announce the winners of the CCG Excellence Awards for the Fall ACS National Meeting, to be held in Boston, MA fromAugust 19-21, 2002.

The CCG Excellence Awards have been created to stimulate graduate student participation in COMP Division activities(symposia and poster sessions) at ACS National Meetings. Winners will receive a one-year software license of CCG's MOE(Molecular Operating Environment) for their academic research groups, in addition to travel costs associated with attendingan ACS National Meeting to present their research.

In alphabetical order, the winners are:

Srikanth Kidambi from the University of Michigan, for the paper entitled: "Quantum chemical calculations of cadmiumchemical shielding tensors in biologically relevant molecules"

Qiong Luo from Rensselaer Polytechnic Institute, for the paper entitled: "Prediction of Glass Transition Temperaturesfor Polymers Using TAE/RECON Method"

Nathan R. McElroy from Pennsylvania State University, for the paper entitled: "Classification of Cytogenetic Toxicityof Organic Compounds from Molecular Structure"

Suhas J. Patankar from Pennsylvania State University, for the paper entitled: "Classification of HIV ProteaseInhibitors and Prediction of Their Antiviral Potency from Molecular Structure"

Minghu Song from Rensselaer Polytechnic Institute, for the paper entitled: "Prediction of Protein Retention Times inAnion-exchange System using Support Vector Machine Regression"

Shixiang Yan from New York University, for the paper etitled "Molecular dynamics simulation and free energy analysisof polycyclic aromatic carcinogen-damaged DNA: accurate representation and new insights"

Send all application materials to:

Prof. Curt M. Breneman
Treasurer, ACS COMP Division
RPI Department of Chemistry
110 8th St.; Troy, NY 12180.
brenec@rpi.edu

For more information please contact:

Bill Hayden
Vice President, Chemical Computing Group
1010 Sherbrooke Street West, Suite 910
Montreal, Quebec, Canada H3A 2R7
hayden@chemcomp.com