Chemical Computing Group
Excellence Award
Up to Five $1,150 CCG Excellence Student Travel Award Stipends Available for the
Spring 2012 San Diego ACS National Meeting
CCG Research Excellence student travel award stipends are available for the Spring 2012 San Diego ACS National Meeting. The CCG Excellence Awards have been created to stimulate graduate student participation in ACS COMP Division activities (symposia and poster sessions) at ACS National Meetings. Those eligible for a CCG Excellence Award are graduate students in good standing who present work within the COMP program, either in oral or poster format. Winners receive $1,150 to offset their travel expenses, as well as a copy of CCG's MOE (Molecular Operating Environment) software with a one-year license. They are also honored during a ceremony at the COMP Division Poster Session.
Up to 5 awardees will be chosen on the basis of the quality and significance of the research to be presented, as well as the strength of the supporting letter and other materials. All graduate students of the Americas (North, South or Central) are encouraged to submit applications. Awards will be given only to those individuals making presentations, not co-authors. There is a limit of one CCG award application per research lab (PI). Previous winners are not eligible.
To apply for an award for the ACS National Meeting in San Diego, CA March 25-29, 2012, an extended abstract of the work (no more than 2 pages), a two page CV along with a letter of support from the research advisor, and a personal statement (no more than 1 page) should be sent as a SINGLE pdf or text file to carlos.simmerling@gmail.com. You must include your last name in the file name. Letters of support can be sent separately from the other materials.
The application deadline is 5pm EDT on October 17, 2011. Applicants will receive email confirmation of receipt of materials. If you do not receive confirmation by October 19, please contact the organizer immediately by telephone (see below). In addition, you must submit your normal poster abstract to the "Chemical Computing Group Excellence Award" symposium on the ACS PACS system prior to the PACS deadline. Note that you MUST APPLY TWICE: email your application, and submit an abstract to PACS. Both must be submitted before their respective deadlines. Do not submit your PACS abstract to the standard poster session- it must be submitted for the CCG session or your application will not be considered.
More information on awards offered by the ACS COMP division can be found on the web site at http://www.acscomp.org/Awards/index.html
For additional information, contact:
- Carlos Simmerling
- Chair, ACS COMP Division Awards Committee
- Professor, Department of Chemistry
- Stony Brook University
- Stony Brook, NY 11794-3400
- 631-632-1336
- carlos.simmerling_AT_gmail.com
The Fall 2011 Winners (Denver)
- John Faver
- University of Florida
- Maria Frushicheva
- University of Southern California
- Wenkel Liang
- University of Washington
- Falgun Shah
- University of Mississippi
- Miranda Shang
- SUNY Stony Brook
The Fall 2010 Winners (Boston)
- Scott Johnson
- UCLA
- Advisor: Ken Houk
- Filtering and ranking enzyme designs using EDGE
- sajohn2@chem.ucla.edu
- Qin Cai
- UC Irvine
- Advisor: Ray Luo
- Biomolecular Dynamics Simulations Based on the Finite-Difference Poisson-Boltzmann Method
- qcai@uci.edu
- Roberto Olivares-Amaya
- Harvard University
- Advisor: Alan Aspuru-Gudzik
- Quantum Chemistry Calculations for Arbitrarily Complex Electrostatic Environments: Benzene Stabilization
- olivares@fas.harvard.edu
- Bonnie Merchant
- Duquesne University
- Advisor: Jeffry Madura
- Computational investigation of the transport mechanism for monoamine transporters
- merchantb@duq.edu
- Yat Tang
- Washing University in St. Louis
- Advisor: Garland Marshall
- Virtual Screening Targeting the PhoP Response Regulator to InhibitBacterial Virulence
- yattang@wustl.edu
The Spring 2010 Winners (San Francisco)
- 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
- klexa@umich.edu
The Fall 2009 Winners (Washington DC)
- Sourav Das
- Rensselaer Polytechnic Institute
- Pair-wise Property-Encoded Shape Distributions: Binding affinity prediction of protein-ligand complexes
- Advisor: Curt Breneman
- Fangyu Ding
- Drug Pressure Induced Mutations in HIV-1 Protease alter Flap Conformations
- SUNY Stony Brook
- Advisor: Carlos Simmerling
- James Fells
- Binary QSAR study for identifying selective LPA3 antagonists
- University of Memphis
- Advisor: Abby Parrill
- Kiumars Shahrokh
- A first set of QM-coupled AMBER ff99 compatible heme parameters for the P450 catalytic cycle
- University of Utah
- Advisor: Tom Cheatham
- Lai Xu
- Dynamics of 1,3-dipolar cycloadditions of diazonium betaines to acetylene and ethylene: Bending vibrations facilitate reaction
- UCLA
- Advisor: Ken Houk
The Spring 2009 Winners (Salt Lake City)
- Jiahao Chen
- University of Illinois at Urbana Champaign
- Investigations into the properties of a new water model capable of polarization and intermolecular charge transfer
- Advisor: Todd Martinez
- Wenxun Gan
- University of Chicago
- Using Markov model to estimate transition rate and free energy profile of Src kinase activation
- Advisor: Benoit Roux
- Dian Jiao
- University of Texas at Austin
- Free Energy simulation of Protein-Ligand Binding via a Polarizable Potential
- Advisor: Pengyu Ren
- Kelly Lancaster
- Georgia Institute of Technology
- Intramolecular Electron Transfer in Two- and Three-Center Mixed-Valence Triarylamines
- Advisor: Jean-Luc Brédas
- Yilin Meng
- University of Florida
- Constant pH replica exchange molecular dynamics simulation in biomolecules
- Advisor: Adrian Roitberg
The Fall 2008 Winners (Philadelphia, PA)
- Satyender Goel
- University of Central Florida
- Pairwise spin-contamination correction and application to 3-D transition metal hydrides from BS-DFT
- Lucius E. Johnson
- University of Louisville
- Mechanism of electronic stabilization of cyclopropenylidene by amino-substitution
- In Suk Joung
- University of Utah
- Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
- Laveena Muley
- University at Buffalo
- Binding affinity awarded for hydrophobic bonding in scoring functions needs to be context dependent
- Somisetti V Sambasivarao
- Auburn University
- Systematic development of OPLS-AA force field parameters for ionic liquid simulations
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 07:08:22, August 26, 2011