The ACS Division of Computers in Chemistry and the Chemical Computing Group is pleased to announce the latest winners ofthe CCG Excellence Awards for the Fall 2003 ACS National Meeting in New York. Congratulations to the winners!
- Ghosh, Tuhin, Rensselaer Polytechnic University, Department of Chemical Engineering: “Proteins under stress:molecular studies of pressure effects on proteins”
- Mattioni, Brian, Pennsylvania State University: “Classifying the mutagenicity of two diverse sets of organiccompounds using Ames test data for Salmonella typhimurium TA100 and TA98”
- Rathore, Nitin, University of Wisconsin, Madison: “Density of states simulations of proteins in a continuum”
- Shen, Ling-Ling, Rensselaer Polytechnic University Department of Chemistry: “Modeling the mu-opioid receptoraffinity of synthetic 8-aminocyclazocine analogues using TAE, PEST, and PAD descriptors and machine-learning methods”
- Shen, Min, University of North Carolina, Chapel Hill: “Discovery and experimental validation of novel functionalizedamino acid anticonvulsant compounds: a success story of QSAR-based database mining”
- Thompson, Jason, University of Minnesota: “Predicting aqueous solubility: a fundamental approach”
- Tschampel, Sarah, University of Georgia: “Rational development of a lone pair inclusive force field”
- Udier-Blagovic, Marina, Yale University: “Validation of a model for the complex of HIV-1 reverse transcriptase withnon-nucleoside inhibitor TMC125”
- Wang, Dong-qi, University of Hong Kong: “A DFT investigation of the remarkable reactivity of the gem-dizinccarbenoid (IZn)2CHI as a cyclopropanation reagent with ethylene compared to its mono zinc carbenoid IZnCHI2”
- Wu, Yudong, Princeton University: “Application of a coarse-grained dynamical method to explore the conformationalspace of small molecules”
For more information please contact:
- Prof. Curt M. Breneman:
Treasurer, ACS COMP Division
RPI Department of Chemistry
110 8th St.
Troy, NY 12180.
brenec@rpi.edu