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 Spring 2004 meeting in Anaheim, CA. Congratulations to the winners!
- Xiaolin Cheng - "Molecular Dynamics Simulations of 8-oxoguanine:A mismatch DNA", Stony Brook University
- Alexander Perryman - "HIV-1 Protease Molecular Dynamics of a Wild-Type and of the V82F/I84V Mutant: PossibleContributions to Drug Resistance and a Potential New Target Site for Drugs.", Howard Hughes Medical Institute
- Asif Ladiwala - "Prediction of Protein Affinity in Hydrophobic Interaction Chromatography using QuantitativeStructure-Retention Relationship (QSRR) Models", Rensselaer Polytechnic Institute
- Asim Okur - "Multiple pathways in beta-hairpin folding and unfolding simulations", Stony Brook University
- Jessica Swanson - "Revisiting Free Energy Calculations: One Step Closer to Rigorous Scoring Functions and One Stepbeyond MM/PBSA", University of California, San Diego
- Ivan Tubert-Brohman - "Improved Semiempirical Methods: Parameterization of PDDG/PM3 for Sulfur". YaleUniversity
- Sarah A. Mueller Stein - "The Influence of Steric Congestion on the Dynamics and Geometry of DNA", DuquesneUniversity
- Wei (David) Deng - "Predicting Protein-Ligand Binding Affinities using Transferable Atom Equivalent (TAE) TechniquesAnd Machine-Learning Methods", Rensselaer Polytechnic Institute
- Andreas Bender - "Similarity Searching using Atom Environments, Information Gain based Feature Selection and theNaïve Bayesian Classifier", University of Cambridge
- Anne E. Loccisano - "Development of New CHARMM Force Field Parameters for Novel DNA Bending Agents", DuquesneUniversity
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