CCG Excellence Award Winners

Dear Computational Chemistry Community,

It is my pleasure on behalf of the ACS Division of Computers in Chemistry to announce the winners of the Chemical Computing Group CCG Excellence Spring 2005 ACS San Diego ACS meeting.  They are:


Anastassia Alexandrova  - Department of Chemistry, Utah State University “Ab Initio Genetic Algorithm-based Elucidation of Multiply Aromatic Clusters” (Alexander I. Boldyrev)

Biggi Albrecht  - Unilever Center for Molecular Informatics, Cambridge University “Uncovering Networks within Protein Structure” (Guy H. Grant)

Dechuan Zhuang  - Department of Chemistry, RPI “Consensus Descriptor Selection under Multiple Objectives using Linear Support Vector Regression” (Curt M. Breneman)

Hanbin Liu – Department of Chemistry, University of Pittsburgh “On the Convergence of a Hybrid Parallel Tempering Tsallis Statistics Monte Carlo Algorithm” (Ken Jordan)

John Mongan – Department of Chemistry, University of California, San Diego “Discrete State Constant pH Molecular Dynamics in Generalized Born Implicit Solvent” (J. Andrew McCammon)

Matt Sundling – Department of Chemistry, RPI ”PEST vs CoMFA:  A Comparative Study of two 3D QSAR Technologies” (Curt M .Breneman)

Melinda Harrison  - Department of Chemistry, Duquesne University ”A QM/MM’ Approach  to Modeling  the Zn(II)/Cu(I) Core of a Protein” (Jeff Evanseck)

Scott Yockel – Department of Chemistry, University of North Texas, Denton “Structures and Energetics of Small Third-Row Molecules with Correlation-Consistent Basis Sets” (Angela Wilson)

Xianlong Vincent Wang – Department of Chemistry, Bryn Mawr College “Ab Initio Studies of Methyl and t-Butyl Group Internal Rotation in Aromatic  Molecular Crystals” (Frank Mallory)

Zunnan Huang – Department of Chemistry, University of Oklahoma “Trajectory-randomized Replica Canonical and Microcanonical Ensembles Simulations and Limitations of MD simulations” (Ralph Wheeler)

Congratulations to the winners!!  We look forward to seeing their talks and posters at the ACS Meeting in San Diego, California next Spring.