Subject: Announcement - ACS COMP Division CCG Excellence Award Winners - Anaheim 2004.

From: "Curt M. Breneman" <brenec^at^rpi.edu>
Date: Tue, 11 Nov 2003 18:57:40 -0500

Dear Computational Chemistry Community,

On behalf of the ACS Division of Computers in Chemistry and the Chemical
Computing Group, it is my pleasure to announce the winners of the CCG
Excellence Award for the 227th ACS National Meeting in Anaheim,
California.  All of the applications received were of the highest
quality, and the panel of judges had to make many tough choices.  Those
not selected for Awards this time are encouraged to reapply for the
Philadelphia meeting.

The winners have earned up to $1,150 in expense reimbursements to cover
their travel and local expenses during the meeting.  They will also be
honored during a ceremony at the COMP Division Poster Session and then
attend an Awardee Dinner on Tuesday evening, March 30th.  Each winner
will also receive a one year license to the most current MOE software
for their research group.

Congratulations to the winners!  They are listed here in no particular
order:

Xiaolin Cheng - "Molecular Dynamics Simulations of 8-oxoguanine:A
mismatch DNA"
Department of Chemistry and Center for Structural Biology, Stony Brook
University

Alexander Perryman - "HIV-1 Protease Molecular Dynamics of a Wild-Type
and of the V82F/I84V Mutant: Possible Contributions to Drug Resistance
and a Potential New Target Site for Drugs." Howard Hughes Medical
Institute, Department of Pharmacology, & Dept. of Chemistry and
Biochemistry*, University of California at San Diego, La Jolla, CA
92093-0365

Asif Ladiwala - "Prediction of Protein Affinity in Hydrophobic
Interaction Chromatography using Quantitative Structure-Retention
Relationship (QSRR) Models".  Department of Chemical and Biological
Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180

Asim Okur - "Multiple pathways in beta-hairpin folding and unfolding
simulations".
Department of Chemistry, Stony Brook University

Jessica Swanson - "Revisiting Free Energy Calculations: One Step Closer
to Rigorous Scoring Functions and One Step beyond MM/PBSA".
Department of Chemistry & Biochemistry, University of California, San
Diego, La Jolla, CA 92093-0365

Ivan Tubert-Brohman -  "Improved Semiempirical Methods: Parameterization
of PDDG/PM3 for Sulfur"
Yale University, Department of Chemistry P.O. Box 208107, New Haven, CT
06520-8107.

Sarah A. Mueller Stein - "The Influence of Steric Congestion on the
Dynamics and Geometry of DNA".
Duquesne University, 308 Mellon Hall, 600 Forbes Avenue, Pittsburgh, PA
15282.

Wei (David) Deng - "Predicting Protein-Ligand Binding Affinities using
Transferable Atom Equivalent (TAE) Techniques And Machine-Learning
Methods". Department of Chemistry, Rensselaer Polytechnic Institute,
Troy, NY 12180

Andreas Bender - "Similarity Searching using Atom Environments,
Information Gain based Feature Selection and the Naove Bayesian
Classifier"
Unilever Centre for Molecular Informatics, Department of Chemistry,
University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United
Kingdom

Anne E. Loccisano - "Development of New CHARMM Force Field Parameters
for Novel DNA Bending Agents"
Duquesne University, 308 Mellon Hall, 600 Forbes Avenue, Pittsburgh, PA
15282.

================

We applaud all of the applicants, and encourage graduate students
working in the field of Computational Chemistry to apply for the next
round of CCG Excellence Awards for the Philadelphia ACS National
Meeting, August 22-26, 2004

Please watch your E-mail for announcements of the next deadline for
submission of application packages for COMP's CCG Excellence Award!

Curt M. Breneman
COMP Division Treasurer
Professor of Chemistry
RPI
110 8th St
Troy, NY 12180