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Chemical Computing Group announces Excellence Awards for ACS
National Meeting
Chemical Computing Group (CCG) and the American Chemical Society’s (ACS) Division of
Computers in Chemistry (COMP) are proud to announce the latest winners of the CCG
Excellence Awards for the 227th ACS National Meeting in Anaheim, California.
The CCG Excellence Awards are intended to encourage graduate student participation and
interaction among computational chemists in the COMP Division activities at ACS National
Meetings. Winners are selected according to the high quality and relevance of their research, as
well as the caliber of supporting materials. The winners will receive a one-year software license
for the most recent version of MOE ?, the Molecular Operating Environment, in addition to
reimbursement for travel expenses to Anaheim, California for the ACS National Meeting.
Congratulations to the following winners!
Cheng, Xiaolin - "Molecular Dynamics Simulations of 8-oxoguanine: A mismatch DNA".
Department of Chemistry and Center for Structural Biology, Stony Brook University.
Perryman, Alexander - "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.
Ladiwala, Asif - "Prediction of Protein Affinity in Hydrophobic Interaction Chromatography using
Quantitative Structure-Retention Relationship (QSRR) Models". Department of Chemical and
Biological Engineering, Rensselaer Polytechnic Institute.
Okur, Asim - "Multiple pathways in beta-hairpin folding and unfolding simulations". Department of
Chemistry, Stony Brook University.
Swanson, Jessica - "Revisiting Free Energy Calculations: One Step Closer to Rigorous Scoring
Functions and One Step beyond MM/PBSA". Department of Chemistry & Biochemistry, University
of California.
Tubert-Brohman, Ivan - "Improved Semiempirical Methods: Parameterization of PDDG/PM3 for
Sulfur". Department of Chemistry, Yale University.
Mueller Stein, Sarah A. - "The Influence of Steric Congestion on the Dynamics and Geometry of
DNA". Duquesne University.
Deng, Wei (David) - "Predicting Protein-Ligand Binding Affinities using Transferable Atom
Equivalent (TAE) Techniques And Machine-Learning Methods". Department of Chemistry,
Rensselaer Polytechnic Institute.
Bender, Andreas - "Similarity Searching using Atom Environments, Information Gain based
Feature Selection and the Naïve Bayesian Classifier". Unilever Centre for Molecular Informatics,
Department of Chemistry, University of Cambridge.
Loccisano, Anne E. - "Development of New CHARMM Force Field Parameters for Novel DNA
Bending Agents". Duquesne University.
CCG acknowledges all of the applications submitted, and continues to promote graduate students
working in the field of Computational Chemistry. For more information, please contact
info@chemcomp.com or visit us at www.chemcomp.com
Lisa Subissati
Chemical Computing Group
Marketing Assistant
Tel.: (514) 393-1055 (ext. 47)
http://www.chemcomp.com | |
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