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Announcements for Awards







Spring 2010 Outstanding Junior Faculty Awards in Computational Chemistry

The winners of the Spring, 2010 award will be presented at the Spring ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:

David Earl
Department of Chemistry
University of Pittsburgh
Monte Carlo Cluster Algorithms to Enhance Conformational Sampling in Solvated Systems
dearl@pitt.edu

William Noid
Department of Chemistry
Pennsylvania State University
The generalized Yvon-Born-Green theory for extended ensembles:
A framework for calculating transferable potentials from known structures
wnoid@chem.psu.edu

Garegin Papoian
Department of Chemistry
University of North Carolina, Chapel Hill
Physico-Chemical Modeling of Actin Polymerization In Vivo
gpapoian@unc.edu

Jana Shen
Department of Chemistry & Biochemistry
University of Oklahoma
A novel theoretical method to uncover residue-specific information for the
denatured states of proteins
jana.k.shen@ou.edu

The new Junior Faculty Award announcement has been placed on the website. Please consider submitting your research for consideration for The Outstanding Junior Faculty Award Program. The details for submissions are available on this website under the awards section.






Spring 2010 CCG Excellence Graduate Student Travel Award

The winners of the Spring, 2010 award will be presented at the Fall ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:

Trent Balius
Department of Applied Mathematics and Statistics
SUNY Stony Brook
Advisor: Robert Rizzo
Computational prediction of fold resistance in EGFR drug resistance
tbalius@aol.com

Mehmed Ertem
Department of Chemistry
Univ. of Minnesota
Advisor: Chris Cramer
Water Oxidation Mechanisms of Ru-Hbpp, cis-Ru(bpy)2(OH2)2 and Ru(DAMP)(bpy) Catalysts
ertem002@umn.edu

Katrina Lexa
Department of Medicinal Chemistry
University of Michigan
Advisor: Heather Carlson
Mapping protein surfaces for druggable hot spots: Mixed-solvent molecular dynamics (MixMD)
klexa@umich.edu

Pansy Patel
Department of Chemistry
University of Central Florida
Advisor: Artëm E. Masunov
Prediction of Properties of Diarylethene Photochromic Compounds for use as Nonvolatile
Optical Data Storage Devices: A Density Functional Theory Study
dhilonpansy@gmail.com

Jason Swails
University of Florida
Department of Chemistry
Advisor: Adrian Roitberg
Effect of pH on Protein Conformation and Function in GM2-Activator Protein
jason.swails@gmail.com

Details on submitting applications for the five $1,150 ACS/CCG Excellence Student Travel Award Stipends that are awarded for the National ACS meetings are available on this website.






Spring 2010 ACS Graduate Student Awards in Supercomputing

NEK2 kinase The winners of the Spring, 2010 award will be presented at the Spring ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:

Shruba Gangopadhyay
Department of Chemistry
University of Central Florida
Artëm E. Masunov
Prediction of weak magnetic exchange constant
in Mn12(mda) complex using DFT+U
shruba@gmail.com

Amber Carr
Department of Chemistry
SUNY Stony Brook
Carlos Simmerling
Examining the Effect of Self-guided Langevin Dynamics on the
Thermodynamic Stability and Kinetics of Peptide Folding
amber.carr@gmail.com

Two Graduate Student Awards in Supercomputing will be awarded at the Spring 2010 San Francisco ACS National Meeting. Please check the announcement for details!

Note: Image, NEK2 kinase, courtesy of Ben Ellingson and Mike Word, OpenEye Scientific Software, all rights reserved.


The views and opinions expressed in this page are strictly those of the Division of Computers in Chemistry. The contents of this page have not been reviewed or approved by the American Chemical Society. Please address all comments and other feedback to the the COMP Division.

This page was last modified 06:30:49, July 1, 2011